SCHEMBL9028756

SCHEMBL9028756

CNC(=O)/C=C1/c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc2)CCC1(F)F

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.65
AVPR1A P37288 11/20 0.65
AVPR1B P47901 3/20 0.55
OXTR P30559 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
SCHEMBL9028762 1.00 AVPR2 (0.65) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9029248 0.94 AVPR2 (0.73) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9029253 0.94 AVPR2 (0.73) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8674759 0.93 AVPR2 (0.68) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9028588 0.93 AVPR2 (0.68) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9027883 0.93 AVPR2 (0.68) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8675747 0.88 AVPR2 (0.60) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8675750 0.88 AVPR2 (0.60) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029305 0.88 AVPR2 (0.71) AVPR2AVPR1AAVPR1BOXTR
Hydrochloric Acid SCHEMBL9029312 0.88 AVPR2 (0.71) AVPR2AVPR1AAVPR1BOXTR

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