SCHEMBL6989322

SCHEMBL6989322

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)c(Cl)c1)c1cccc(Cl)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.60
AVPR2 P30518 11/20 0.55
AVPR1B P47901 2/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
OXTR P30559 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 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
SCHEMBL6993693 0.92 AVPR1A (0.59) AVPR1AAVPR2AVPR1BOXTRLMNA
SCHEMBL6991697 0.90 AVPR1A (0.74) AVPR1AAVPR2AVPR1BMEN1NPC1
SCHEMBL6990881 0.88 AVPR2 (0.59) AVPR1AAVPR2AVPR1BOXTRLMNA
SCHEMBL6991600 0.87 AVPR1A (0.58) AVPR1AAVPR2AVPR1BMEN1KMT2A
SCHEMBL6988950 0.87 AVPR2 (0.60) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6987470 0.85 AVPR1A (0.59) AVPR1AAVPR2AVPR1BNPC1OXTR
SCHEMBL6984131 0.85 AVPR1A (0.59) AVPR1AAVPR2AVPR1BOXTRLMNA
SCHEMBL6986446 0.83 AVPR2 (0.71) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL6984084 0.82 AVPR2 (0.81) AVPR1AAVPR2OXTR
SCHEMBL6988420 0.81 AVPR2 (0.55) AVPR1AAVPR2AVPR1BOXTR

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