SCHEMBL9028796

SCHEMBL9028796

CNC(=O)C=C1c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3-c3cccc(OC)c3OC)cc2)CCC1(F)F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.56
AVPR2 P30518 9/20 0.56
OXTR P30559 2/20 0.51
AVPR1B P47901 1/20 0.51

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
SCHEMBL9028788 1.00 AVPR1A (0.56) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9028780 0.89 AVPR1A (0.54) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9028294 0.88 AVPR1A (0.58) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8672321 0.88 AVPR1A (0.58) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8672584 0.88 AVPR2 (0.47) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9029253 0.86 AVPR2 (0.73) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9029248 0.86 AVPR2 (0.73) AVPR1AAVPR2OXTRAVPR1B
Hydrochloric Acid SCHEMBL9028830 0.86 AVPR2 (0.77) AVPR1AAVPR2OXTRAVPR1B
Hydrochloric Acid SCHEMBL9028823 0.86 AVPR2 (0.77) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9028749 0.85 AVPR2 (0.56) 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