SCHEMBL6989154

SCHEMBL6989154

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.73
AVPR1B P47901 3/20 0.60
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
AVPR2 P30518 4/20 0.54
OXTR P30559 2/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL6991594 0.92 AVPR1A (0.67) AVPR1AAVPR1BLMNATP53AVPR2
SCHEMBL6984131 0.89 AVPR1A (0.59) AVPR1AAVPR1BLMNATP53AVPR2
SCHEMBL6987519 0.89 AVPR1A (0.63) AVPR1AAVPR1BLMNATP53AVPR2
SCHEMBL6991376 0.87 AVPR1A (0.60) AVPR1AAVPR1BLMNATP53AVPR2
SCHEMBL6986061 0.86 AVPR1A (0.77) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992887 0.85 AVPR1A (0.60) AVPR1AAVPR1BLMNAAVPR2
SCHEMBL6992362 0.84 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6991697 0.84 AVPR1A (0.74) AVPR1AAVPR1BAVPR2OXTRMEN1
SCHEMBL6992664 0.84 AVPR1A (0.63) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6992772 0.84 AVPR1A (0.63) AVPR1AAVPR1BTP53AVPR2OXTR

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