SCHEMBL6989949

SCHEMBL6989949

Cc1ccsc1C(=O)Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.62
AVPR1B P47901 4/20 0.59
AVPR2 P30518 3/20 0.51
OXTR P30559 1/20 0.50
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRM1 Q13255 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
SCHEMBL6988098 0.88 AVPR1A (0.74) AVPR1AAVPR1BAVPR2OXTRPKM
SCHEMBL6987246 0.87 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTRMEN1
SCHEMBL7091449 0.85 AVPR1A (0.65) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991880 0.85 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6990890 0.84 AVPR1A (0.66) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6986061 0.84 AVPR1A (0.77) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6994023 0.84 AVPR1A (0.68) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991357 0.84 AVPR1A (0.68) AVPR1AAVPR1BAVPR2OXTRKMT2A
SCHEMBL6991936 0.83 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992490 0.82 AVPR1A (0.61) AVPR1AAVPR1BAVPR2OXTRGRM1

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