SCHEMBL6992463

SCHEMBL6992463

Cc1sccc1CC(=O)Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.55
AVPR1B P47901 3/20 0.50
AVPR2 P30518 4/20 0.45
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
OXTR P30559 1/20 0.42
KCNQ2 O43526 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6988324 0.86 AVPR1A (0.60) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6987453 0.84 AVPR1A (0.62) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6987246 0.84 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTRMEN1
SCHEMBL6989949 0.81 AVPR1A (0.62) AVPR1AAVPR1BAVPR2OXTRMEN1
SCHEMBL6990890 0.78 AVPR1A (0.66) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6987460 0.78 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTRMEN1
SCHEMBL6986447 0.78 AVPR1A (0.71) AVPR1AAVPR1BAVPR2KCNQ2MEN1
SCHEMBL7091449 0.78 AVPR1A (0.65) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991880 0.77 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991577 0.76 AVPR1A (0.68) AVPR1AAVPR1BAVPR2OXTR

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