SCHEMBL3612895

SCHEMBL3612895

CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CC(N)CN)CCC[C@]21C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.78
▸ MEN1 O00255 3/20 0.78
▸ KMT2A Q03164 3/20 0.78
▸ TSHR P16473 2/20 0.78
▸ CYP2D6 P10635 2/20 0.78
▸ CYP2C19 P33261 2/20 0.78
▸ PDK1 Q15118 1/20 0.78
▸ PDK2 Q15119 1/20 0.78
▸ PDK3 Q15120 1/20 0.78
▸ PDK4 Q16654 1/20 0.78
▸ CYP2C9 P11712 1/20 0.78
▸ MAPK1 P28482 2/20 0.77
▸ TP53 P04637 1/20 0.77
▸ MAPT P10636 1/20 0.77
▸ ALOX15 P16050 1/20 0.77
▸ KARS1 Q15046 2/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.64
▸ TDP1 Q9NUW8 6/20 0.61
▸ LMNA P02545 1/20 0.60
▸ RXRA P19793 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27863 0.88 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL14029315 0.88 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL29380336 0.88 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL9108470 0.88 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL4943352 0.88 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL31682257 0.88 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL27864 0.88 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL17158674 0.88 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6
SCHEMBL17459735 0.87 MEN1 (0.68) CYP3A4MEN1KMT2ATSHRCYP2D6
Hydrochloric Acid SCHEMBL29409504 0.87 CYP3A4 (1.00) CYP3A4MEN1KMT2ATSHRCYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 184 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258183-A1 Compounds and uses for the treatment of airway diseases and for the delivery of airway drugs The University of North Carolina at Chapel Hill (US) 2010-12-08 — — EP claimed
CN-118344348-A Heterocyclic substituted quinazoline and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2024-07-16 — — CN disclosed
CN-118344386-A Substituted bridged ring inhibitors and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2024-07-16 — — CN disclosed
CN-118324867-A Novel cyclosporin derivatives and uses thereof 美国科技环球有限公司 2024-07-12 — — CN disclosed
CN-115605477-B Pyrazolo [1,5-a ] pyridine derivative, preparation method, composition and application thereof 深圳众格生物科技有限公司 2024-07-05 — — CN disclosed
CN-118221660-A Compound for treating cardiovascular and cerebrovascular diseases and preparation method and application thereof 台州永健医药科技有限公司 2024-06-21 — — CN disclosed
CN-118201642-A Linker for antibody drug conjugates 奥隆制药 2024-06-14 — — CN disclosed
CN-118201641-A Novel degradant-anti-CD 33 antibody conjugates 奥隆制药 2024-06-14 — — CN disclosed
CN-118126035-A Cycloalkyl or heterocycle substituted benzo or pyridopyridazine, and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2024-06-04 — — CN disclosed
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2024-05-28 — — CN disclosed
CN-101668751-A aspartyl protease inhibitors SCHERING CORP 2010-03-10 — — CN disclosed
CN-101631779-A Aspartyl protease inhibitors containing a tricyclic ring system SCHERING CORP 2010-01-20 — — CN disclosed
EP-1948159-A2 PHARMACEUTICAL GALLIUM COMPOSITIONS AND METHODS GENTA INCORPORATED (US) 2008-07-30 — — EP disclosed
WO-2007055885-A2 PHARMACEUTICAL GALLIUM COMPOSITIONS AND METHODS GENTA INCORPORATED (US) 2007-05-18 — — WO disclosed
CN-1308536-A Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2001-08-15 — — CN disclosed
EP-0068680-B1 ANTIBIOTICS BEECHAM GROUP PLC (GB) 1986-09-17 — — EP disclosed
EP-0013617-B1 PENICILLIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING CERTAIN OF THESE COMPOUNDS BEECHAM GROUP PLC (GB) 1984-07-04 — — EP disclosed
EP-0006688-B1 DIMETHYL SULFOXIDE ADDUCTS OF SODIUM 6-(D(-)-ALPHA-(4-HYDROXY-1,5-NAPHTHYRIDINE-3-CARBOXAMIDO)PHENYLACETAMIDO)PENICILLANATE OR THE DERIVATIVE THEREOF BEARING A HYDROXYL GROUP AT THE P-POSITION OF THE PHENYL GROUP, METHODS FOR THEIR PREPARATION AND DECOMPOSITION, AND THEIR USE AS INTERMEDIATES FOR PURIFYING THE CRUDE PENICILLINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-05-19 — — EP disclosed
EP-0005006-B1 ANTIBACTERIAL MONIC ACID C DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1981-09-02 — — EP disclosed
EP-0013617-A1 Penicillin derivatives, process for their preparation and pharmaceutical compositions containing certain of these compounds BEECHAM GROUP PLC (GB) 1980-07-23 — — EP disclosed
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