SCHEMBL6994643

SCHEMBL6994643

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1cc(F)cc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.66
AVPR1B P47901 3/20 0.53
AVPR2 P30518 2/20 0.47
OXTR P30559 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6989965 0.93 AVPR1A (0.60) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6989817 0.91 AVPR1A (0.66) AVPR1AAVPR1BRAB9A
SCHEMBL6991577 0.90 AVPR1A (0.68) AVPR1AAVPR1BAVPR2OXTRRAB9A
SCHEMBL6990890 0.88 AVPR1A (0.66) AVPR1AAVPR1BAVPR2OXTRRAB9A
SCHEMBL6992370 0.86 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6989784 0.86 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTRRAB9A
SCHEMBL6993624 0.85 AVPR1A (0.66) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7091449 0.85 AVPR1A (0.65) AVPR1AAVPR1BAVPR2OXTRRAB9A
SCHEMBL6991947 0.85 AVPR1A (0.65) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992887 0.85 AVPR1A (0.60) AVPR1AAVPR1BAVPR2

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