SCHEMBL6991644

SCHEMBL6991644

COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.73
AVPR1B P47901 4/20 0.60
AVPR2 P30518 5/20 0.55
OXTR P30559 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
AHR P35869 1/20 0.52
RAB9A P51151 1/20 0.52
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL6989325 0.90 AVPR1A (0.64) AVPR1AAVPR1BAVPR2OXTRMAPT
SCHEMBL6990757 0.90 AVPR1A (0.64) AVPR1AAVPR1BAVPR2OXTRMAPT
SCHEMBL6993625 0.89 AVPR1A (0.63) AVPR1AAVPR1BAVPR2OXTRMAPT
SCHEMBL6986061 0.88 AVPR1A (0.77) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6990820 0.85 AVPR1A (0.73) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL7349028 0.85 AVPR1A (0.76) AVPR1AAVPR2OXTR
SCHEMBL6993534 0.84 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991697 0.84 AVPR1A (0.74) AVPR1AAVPR1BAVPR2OXTRMEN1
SCHEMBL6991357 0.84 AVPR1A (0.68) AVPR1AAVPR1BAVPR2OXTRKMT2A
SCHEMBL7354363 0.84 AVPR1A (0.74) 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