SCHEMBL6992887

SCHEMBL6992887

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.60
AVPR1B P47901 3/20 0.49
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
AVPR2 P30518 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL8797050 0.87 AVPR1A (0.59) AVPR1AAVPR1BKCNQ3KCNQ2KCNE1
SCHEMBL6991376 0.87 AVPR1A (0.60) AVPR1AAVPR1BPOLBMAPTAVPR2
SCHEMBL6987519 0.86 AVPR1A (0.63) AVPR1AAVPR1BAVPR2LMNA
SCHEMBL6992772 0.86 AVPR1A (0.63) AVPR1AAVPR1BMAPTAVPR2
SCHEMBL6989965 0.85 AVPR1A (0.60) AVPR1AAVPR1BAVPR2LMNA
SCHEMBL6992930 0.85 AVPR1A (0.63) AVPR1AAVPR1BKCNQ3KCNQ2KCNE1
SCHEMBL6989154 0.85 AVPR1A (0.73) AVPR1AAVPR1BAVPR2LMNA
SCHEMBL6991594 0.85 AVPR1A (0.67) AVPR1AAVPR1BAVPR2LMNA
SCHEMBL6994643 0.85 AVPR1A (0.66) AVPR1AAVPR1BAVPR2
SCHEMBL6991577 0.85 AVPR1A (0.68) AVPR1AAVPR1BAVPR2

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