SCHEMBL6989784

SCHEMBL6989784

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccc(F)cc1F

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.67
AVPR1B P47901 3/20 0.55
AVPR2 P30518 6/20 0.53
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
OXTR P30559 2/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL6992370 0.93 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTRHDAC1
SCHEMBL6993624 0.92 AVPR1A (0.66) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992664 0.89 AVPR1A (0.63) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6987519 0.89 AVPR1A (0.63) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991947 0.89 AVPR1A (0.65) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6994643 0.86 AVPR1A (0.66) AVPR1AAVPR1BAVPR2RAB9AOXTR
SCHEMBL6992362 0.86 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6989817 0.86 AVPR1A (0.66) AVPR1AAVPR1BNPC1MAPTRAB9A
SCHEMBL6988967 0.85 AVPR1A (0.69) AVPR1AAVPR1BAVPR2
SCHEMBL6987256 0.84 AVPR1A (0.69) AVPR1AAVPR1BAVPR2OXTR

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