SCHEMBL9028217

SCHEMBL9028217

COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)O)c3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.61
AVPR2 P30518 7/20 0.61
OXTR P30559 2/20 0.55
AVPR1B P47901 1/20 0.55
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ACHE P22303 1/20 0.45
NPC1 O15118 1/20 0.44
AHR P35869 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8676668 1.00 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL8672321 0.94 AVPR1A (0.58) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL9028294 0.94 AVPR1A (0.58) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL8673860 0.92 AVPR1A (0.59) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9027824 0.92 AVPR1A (0.59) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9028620 0.92 AVPR1A (0.55) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL8675689 0.92 AVPR1A (0.55) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL9028739 0.91 AVPR2 (0.58) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL8673863 0.91 AVPR2 (0.58) AVPR1AAVPR2OXTRAVPR1BMAPT
SCHEMBL8677658 0.89 AVPR1A (0.63) AVPR1AAVPR2OXTRAVPR1B

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