SCHEMBL9028440

SCHEMBL9028440

Cc1ccsc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)O)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.56
AVPR2 P30518 9/20 0.56
AVPR1B P47901 6/20 0.52
OXTR P30559 1/20 0.52
PKM P14618 1/20 0.46
GRM1 Q13255 1/20 0.43
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL8673847 1.00 AVPR1A (0.56) AVPR1AAVPR2AVPR1BOXTRPKM
Hydrochloric Acid SCHEMBL9035505 0.92 AVPR1A (0.53) AVPR1AAVPR2AVPR1BOXTRPKM
Hydrochloric Acid SCHEMBL9035498 0.92 AVPR1A (0.53) AVPR1AAVPR2AVPR1BOXTRPKM
SCHEMBL9027972 0.88 AVPR2 (0.50) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8675490 0.86 AVPR1A (0.75) AVPR1AAVPR2AVPR1BOXTRPKM
SCHEMBL8675496 0.86 AVPR1A (0.75) AVPR1AAVPR2AVPR1BOXTRPKM
SCHEMBL9029202 0.86 AVPR1A (0.63) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8677658 0.86 AVPR1A (0.63) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL9029077 0.85 AVPR1A (0.64) AVPR1AAVPR2AVPR1BOXTR
SCHEMBL8674443 0.83 AVPR1A (0.62) AVPR1AAVPR2AVPR1BOXTRGRM1

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-0716083-A1 BENZAZEPINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE FOR THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed