SCHEMBL6189060

SCHEMBL6189060

Cc1nc2ccc(OCC(O)CN3CCNC[C@@H]3C)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6284597 1.00 CYP3A4 (0.44) CYP3A4
SCHEMBL4033137 1.00 CYP3A4 (0.44) CYP3A4
SCHEMBL5353655 0.93 CYP3A4 (0.51) CYP3A4
SCHEMBL4038742 0.93 CYP3A4 (0.51) CYP3A4
SCHEMBL4040106 0.84 CYP3A4 (0.54) CYP3A4
SCHEMBL6281798 0.81 CYP3A4 (0.46) CYP3A4
SCHEMBL6236273 0.79 CYP3A4 (0.50) CYP3A4
SCHEMBL4038101 0.76 CYP3A4 (0.63) CYP3A4
SCHEMBL4329581 0.76 CYP3A4 (0.63) CYP3A4
SCHEMBL4859620 0.76 CYP3A4 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 WO disclosed