SCHEMBL9029030

SCHEMBL9029030

Nc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)O)c3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 14/20 0.61
AVPR2 P30518 14/20 0.61
OXTR P30559 2/20 0.55
AVPR1B P47901 2/20 0.55

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
SCHEMBL8672740 1.00 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9028397 0.90 AVPR1A (0.73) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8670855 0.90 AVPR1A (0.73) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9028332 0.90 AVPR1A (0.73) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9028728 0.89 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9029202 0.89 AVPR1A (0.63) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8677658 0.89 AVPR1A (0.63) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8673890 0.89 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8675730 0.88 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9029077 0.88 AVPR1A (0.64) 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