SCHEMBL8710430

SCHEMBL8710430

Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CCCC2(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.67
AVPR1A P37288 5/20 0.67
OXTR P30559 1/20 0.67

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
SCHEMBL7351740 0.81 AVPR2 (0.94) AVPR2AVPR1AOXTR
SCHEMBL8558906 0.80 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL7351118 0.80 AVPR1A (1.00) AVPR2AVPR1AOXTR
SCHEMBL7343665 0.79 AVPR1A (0.98) AVPR2AVPR1AOXTR
SCHEMBL8719656 0.77 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL8561006 0.77 AVPR2 (0.75) AVPR2AVPR1AOXTR
SCHEMBL7344301 0.77 THRB (0.49) AVPR1A
SCHEMBL7351861 0.74 AVPR2 (0.81) AVPR2AVPR1AOXTR
SCHEMBL9838243 0.74 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL13982620 0.74 AVPR1A (0.66) AVPR2AVPR1AOXTR

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
US-5827862-A CARBOSTYRIL OR BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-10-27 US claimed