SCHEMBL9028386

SCHEMBL9028386

O=C(O)/C=C1/c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3N3CCCCC3)cc2)CCC1(F)F

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.59
AVPR1A P37288 10/20 0.59
AVPR1B P47901 4/20 0.59
OXTR P30559 3/20 0.59

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
SCHEMBL8670853 1.00 AVPR2 (0.59) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9028332 0.89 AVPR1A (0.73) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9028397 0.89 AVPR1A (0.73) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8670855 0.89 AVPR1A (0.73) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9028728 0.88 AVPR1A (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8672740 0.88 AVPR1A (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8677658 0.88 AVPR1A (0.63) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9029202 0.88 AVPR1A (0.63) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8673890 0.88 AVPR1A (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL9029030 0.88 AVPR1A (0.61) 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