SCHEMBL6987470

SCHEMBL6987470

CSc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.59
AVPR2 P30518 11/20 0.54
AVPR1B P47901 3/20 0.49
OXTR P30559 1/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.45
TP53 P04637 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
SCHEMBL6990820 0.89 AVPR1A (0.73) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6993693 0.86 AVPR1A (0.59) AVPR1AAVPR2AVPR1BOXTRLMNA
SCHEMBL6989322 0.85 AVPR1A (0.60) AVPR1AAVPR2AVPR1BOXTRNPC1
SCHEMBL6990881 0.85 AVPR2 (0.59) AVPR1AAVPR2AVPR1BOXTRLMNA
SCHEMBL6991600 0.84 AVPR1A (0.58) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6984131 0.84 AVPR1A (0.59) AVPR1AAVPR2AVPR1BOXTRLMNA
SCHEMBL6988950 0.83 AVPR2 (0.60) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6986446 0.81 AVPR2 (0.71) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6993364 0.81 AVPR1A (0.57) AVPR1AAVPR2AVPR1BOXTRNPC1
SCHEMBL6984084 0.81 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