SCHEMBL6991376

SCHEMBL6991376

O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.60
TP53 P04637 1/20 0.49
AVPR1B P47901 3/20 0.49
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
AVPR2 P30518 2/20 0.43
LMNA P02545 1/20 0.42
OXTR P30559 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
SCHEMBL6991594 0.88 AVPR1A (0.67) AVPR1ATP53AVPR1BMEN1KMT2A
SCHEMBL6989154 0.87 AVPR1A (0.73) AVPR1ATP53AVPR1BMEN1KMT2A
SCHEMBL6992887 0.87 AVPR1A (0.60) AVPR1AAVPR1BPOLBMAPTAVPR2
SCHEMBL6984078 0.86 AVPR1A (0.69) AVPR1AAVPR1BMEN1KMT2AAVPR2
SCHEMBL6992362 0.84 AVPR1A (0.71) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6989817 0.84 AVPR1A (0.66) AVPR1ATP53AVPR1BMEN1KMT2A
SCHEMBL6987519 0.83 AVPR1A (0.63) AVPR1ATP53AVPR1BAVPR2LMNA
SCHEMBL6989965 0.83 AVPR1A (0.60) AVPR1AAVPR1BAVPR2LMNAOXTR
SCHEMBL6992930 0.83 AVPR1A (0.63) AVPR1AAVPR1BLMNA
SCHEMBL6991880 0.83 AVPR1A (0.67) 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