SCHEMBL4810283

SCHEMBL4810283

CCOc1cc(F)ccc1C1(N2CCCN(c3ccncc3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cn2)c2ccc(C#N)cc21

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 20/20 0.81
CYP3A4 P08684 2/20 0.73

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
SCHEMBL2888701 0.98 AVPR1B (0.84) AVPR1BCYP3A4
SCHEMBL2891181 0.94 AVPR1B (0.85) AVPR1BCYP3A4
SCHEMBL2885968 0.92 AVPR1B (0.89) AVPR1BCYP3A4
SCHEMBL2889118 0.91 AVPR1B (0.77) AVPR1BCYP3A4
SCHEMBL2893866 0.90 AVPR1B (0.71) AVPR1BCYP3A4
SCHEMBL2891139 0.90 AVPR1B (1.00) AVPR1BCYP3A4
SCHEMBL2889280 0.90 AVPR1B (0.70) AVPR1BCYP3A4
SCHEMBL2885220 0.88 AVPR1B (0.91) AVPR1BCYP3A4
SCHEMBL4081698 0.88 AVPR1B (0.92) AVPR1BCYP3A4
SCHEMBL2892855 0.87 AVPR1B (0.96) AVPR1BCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486931-B2 Substituted oxindole compounds ABBOTT GMBH & CO. KG (DE) 2013-07-16 US claimed
US-8486931-B2 Substituted oxindole compounds ABBOTT GMBH & CO. KG (DE) 2013-07-16 US disclosed
WO-2008107399-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2008-09-12 WO disclosed