SCHEMBL5220829

SCHEMBL5220829

Cc1nc2cc(OCC(O)CN3C[CH]N(Cc4ccc(Cl)cc4Cl)CC3)ccc2s1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53

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
SCHEMBL5227120 0.90
SCHEMBL5224603 0.86
SCHEMBL5228642 0.82 CYP1A2 (0.47) CYP3A4
SCHEMBL4036368 0.82 CYP3A4 (0.65) CYP3A4
SCHEMBL5359417 0.80 CYP3A4 (0.53) CYP3A4
SCHEMBL4858090 0.80 CYP3A4 (0.65) CYP3A4
SCHEMBL6257407 0.78
SCHEMBL5901622 0.78
SCHEMBL6028488 0.78 CYP3A4 (0.59) CYP3A4
SCHEMBL4334506 0.78 CYP3A4 (0.59) CYP3A4

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-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed