SCHEMBL6992772

SCHEMBL6992772

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.63
AVPR1B P47901 3/20 0.51
AVPR2 P30518 4/20 0.46
OXTR P30559 2/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL6992664 0.93 AVPR1A (0.63) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992370 0.89 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6989965 0.86 AVPR1A (0.60) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992930 0.86 AVPR1A (0.63) AVPR1AAVPR1B
SCHEMBL6992887 0.86 AVPR1A (0.60) AVPR1AAVPR1BAVPR2MAPT
SCHEMBL6987519 0.84 AVPR1A (0.63) AVPR1AAVPR1BAVPR2OXTRTP53
SCHEMBL6989154 0.84 AVPR1A (0.73) AVPR1AAVPR1BAVPR2OXTRTP53
SCHEMBL6989784 0.84 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTRMAPT
SCHEMBL6991594 0.83 AVPR1A (0.67) AVPR1AAVPR1BAVPR2OXTRTP53
SCHEMBL6988420 0.83 AVPR2 (0.55) 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