SCHEMBL9028992

SCHEMBL9028992

CCCNC(=O)/C=C1/c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CCC1(F)F

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.68
AVPR1A P37288 17/20 0.68
OXTR P30559 2/20 0.52
AVPR1B P47901 1/20 0.52

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
SCHEMBL9028998 1.00 AVPR2 (0.68) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028912 0.94 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028905 0.94 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9029526 0.92 AVPR2 (0.66) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028934 0.92 AVPR2 (0.66) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8672309 0.92 AVPR2 (0.66) AVPR2AVPR1AOXTRAVPR1B
Hydrochloric Acid SCHEMBL9029376 0.91 AVPR2 (0.71) AVPR2AVPR1AOXTRAVPR1B
Hydrochloric Acid SCHEMBL9029373 0.91 AVPR2 (0.71) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9027902 0.90 AVPR2 (0.67) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9027897 0.90 AVPR2 (0.67) AVPR2AVPR1AOXTRAVPR1B

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