SCHEMBL9535378

SCHEMBL9535378

COC(=O)Oc1c(N)ncn1C1c2ccccc2CCC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.34
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KCNQ2 O43526 1/20 0.31
ACE P12821 1/20 0.31
XIAP P98170 1/20 0.31
CCR6 P51684 1/20 0.31
USP2 O75604 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
EGFR P00533 1/20 0.30
BTK Q06187 1/20 0.30
HSD11B1 P28845 1/20 0.30
ADORA2A P29274 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL9531257 0.89 CYP11B2 (0.33) CYP11B2ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL10390416 0.84 DAPK3 (0.36) CYP11B2ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL9533729 0.80 IDO1 (0.34) CYP11B2CCR6USP2HSD11B1TSHR
SCHEMBL10516865 0.74 CYP11B2 (0.32) CYP11B2ALDH1A1LMNATSHR
SCHEMBL2819775 0.73 CYP11B2 (0.45) CYP11B2CCR6KMT2A
SCHEMBL2819780 0.73 CYP11B2 (0.45) CYP11B2CCR6KMT2A
SCHEMBL2822367 0.73 CYP11B2 (0.45) CYP11B2CCR6KMT2A
SCHEMBL10389944 0.73 DAPK3 (0.37) CYP11B2ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL10596279 0.71 CYP11B2 (0.35) CYP11B2ACE
SCHEMBL10648754 0.69 CYP11B2 (0.41) CYP11B2ALDH1A1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
EP-0288196-B1 Sulfonyldecahydro-8H-isoquino[2,1-g][1,6]naphthyridines, optical isomers thereof and related compounds SYNTEX (U.S.A.) INC. (US) 1993-07-28 EP disclosed
US-5229387-A Cardiovascular disorders, alpha2-adenoreceptor antagonist or hydroxytryptamine receivers as hypotensive agents SYNTEX (U.S.A.) INC. (US) 1993-07-20 US disclosed
EP-0524004-A1 Decahydro-8H-isoquino[2,1-g][1,6]naphthyridine and decahydrobenzo[a]pyrrolo[2,3-e]quinolizine derivatives SYNTEX (U.S.A.) INC. (US) 1993-01-20 EP disclosed
US-4956365-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS, ANTICOAGULANTS, ANTIDIABETIC AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-11 US disclosed
US-4886798-A Optical isomers of sulfonyldecahydro-8H-isoquino-(2,1-G)(1,6) naphthyridines and related compounds useful as α2 -blockers SYNTEX (U.S.A.) INC. (US) 1989-12-12 US disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP disclosed