SCHEMBL8263442

SCHEMBL8263442

CC(C)(C)OC(=O)N1CCC(c2cccc(OCc3ccc(N)cc3)c2)=C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.44
CYP3A4 P08684 2/20 0.42

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
SCHEMBL8264379 0.94 REN (0.42) RENCYP3A4
SCHEMBL8265425 0.94 REN (0.46) RENCYP3A4
SCHEMBL8265243 0.93 REN (0.44) RENCYP3A4
SCHEMBL8264366 0.92 REN (0.43) RENCYP3A4
SCHEMBL8262833 0.92 REN (0.45) RENCYP3A4
SCHEMBL13490906 0.92 CYP3A4 (0.46) RENCYP3A4
SCHEMBL8264361 0.91 REN (0.43) RENCYP3A4
SCHEMBL8264289 0.91 REN (0.43) RENCYP3A4
SCHEMBL8262863 0.90 REN (0.42) RENCYP3A4
SCHEMBL8264371 0.90 REN (0.44) RENCYP3A4

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
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed