SCHEMBL6991600

SCHEMBL6991600

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)c(Cl)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.58
AVPR2 P30518 10/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
AVPR1B P47901 1/20 0.50
OXTR P30559 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL6988967 0.91 AVPR1A (0.69) AVPR1AAVPR2MEN1KMT2AATM
SCHEMBL8796707 0.88 AVPR1A (0.74) AVPR1AAVPR2MEN1KMT2AATM
SCHEMBL6989322 0.87 AVPR1A (0.60) AVPR1AAVPR2MEN1KMT2AAVPR1B
SCHEMBL6993693 0.87 AVPR1A (0.59) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6986446 0.85 AVPR2 (0.71) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6990881 0.85 AVPR2 (0.59) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6994023 0.84 AVPR1A (0.68) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6984131 0.84 AVPR1A (0.59) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6987470 0.84 AVPR1A (0.59) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6984084 0.84 AVPR2 (0.81) AVPR1AAVPR2OXTR

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