SCHEMBL6991697

SCHEMBL6991697

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1cccc(Cl)c1Cl

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.74
AVPR1B P47901 3/20 0.66
AVPR2 P30518 3/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
OXTR P30559 2/20 0.53

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
SCHEMBL6989322 0.90 AVPR1A (0.60) AVPR1AAVPR1BAVPR2MEN1NPC1
SCHEMBL6984078 0.89 AVPR1A (0.69) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6988119 0.89 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6993534 0.87 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992362 0.87 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6986061 0.86 AVPR1A (0.77) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6988967 0.85 AVPR1A (0.69) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6991584 0.85 AVPR1A (0.72) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL6987256 0.85 AVPR1A (0.69) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991644 0.84 AVPR1A (0.73) AVPR1AAVPR1BAVPR2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP disclosed