SCHEMBL9028601

SCHEMBL9028601

Cc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)O)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.51
AVPR1A P37288 10/20 0.51
OXTR P30559 1/20 0.49
AVPR1B P47901 1/20 0.49
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 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
SCHEMBL9028609 0.89 AVPR1A (0.51) AVPR2AVPR1AOXTRAVPR1BKMT2A
SCHEMBL9029077 0.85 AVPR1A (0.64) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9029202 0.85 AVPR1A (0.63) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8677658 0.85 AVPR1A (0.63) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028440 0.81 AVPR1A (0.56) AVPR2AVPR1AOXTRAVPR1BKMT2A
SCHEMBL9028978 0.81 AVPR1A (0.62) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8673847 0.81 AVPR1A (0.56) AVPR2AVPR1AOXTRAVPR1BKMT2A
SCHEMBL8674443 0.81 AVPR1A (0.62) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8673883 0.80 AVPR2 (0.51) AVPR2AVPR1AOXTRAVPR1BKMT2A
SCHEMBL9028315 0.80 AVPR2 (0.51) AVPR2AVPR1AOXTRAVPR1BKMT2A

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