SCHEMBL9410779

SCHEMBL9410779

[NH]C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ USP2 O75604 3/20 0.65
▸ TSHR P16473 2/20 0.65
▸ MAPT P10636 7/20 0.64
▸ LMNA P02545 3/20 0.64
▸ MAPK1 P28482 3/20 0.64
▸ CYP2C9 P11712 2/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ AKR1C3 P42330 1/20 0.61
▸ POLB P06746 3/20 0.57
▸ SLC6A7 Q99884 1/20 0.57
▸ HTT P42858 2/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ HTR7 P34969 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55

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
SCHEMBL631962 0.83 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL27792690 0.83 AKR1C3 (0.82) ALDH1A1MEN1KMT2AUSP2TSHR
Hydrochloric Acid SCHEMBL5492248 0.82 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL9410734 0.81 AKR1C3 (0.63) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL15244587 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL772728 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL4670098 0.80 USP2 (0.72) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL3867043 0.80 HTR1A (0.67) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL426469 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL17834330 0.79 MAPT (0.70) ALDH1A1MEN1KMT2AUSP2TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 — — EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 — — EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 — — EP disclosed
EP-0171217-B1 FUSED-RING HETEROCYCLIC COMPOUNDS A PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SANKYO COMPANY LIMITED (JP) 1989-05-03 — — EP disclosed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 — — US disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 — — EP disclosed
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