SCHEMBL9029253

SCHEMBL9029253

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

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.73
AVPR1A P37288 14/20 0.73
OXTR P30559 2/20 0.56
AVPR1B P47901 5/20 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
SCHEMBL9029248 1.00 AVPR2 (0.73) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028756 0.94 AVPR2 (0.65) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028762 0.94 AVPR2 (0.65) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028397 0.92 AVPR1A (0.73) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8670855 0.92 AVPR1A (0.73) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028332 0.92 AVPR1A (0.73) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8676713 0.91 AVPR2 (0.72) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028912 0.91 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9028905 0.91 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8676709 0.91 AVPR2 (0.72) 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