SCHEMBL5368732

SCHEMBL5368732

COc1cc(C2(NC(=O)CN(C)C)CCN(C(C=O)n3nc(C(F)(F)F)c(Cl)c3C)CC2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 20/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 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
SCHEMBL5313050 0.90 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL5312337 0.83 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL5373128 0.83 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL4454469 0.82 CCR1 (0.62) CCR1CYP2C19KCNH2
SCHEMBL5450338 0.75 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL4015802 0.75 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL4452522 0.72 CCR1 (0.66) CCR1CYP2C19KCNH2
SCHEMBL5362249 0.72 CCR1 (0.39) CCR1CYP2C19KCNH2
SCHEMBL4308192 0.71 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL4565941 0.71 CCR1 (0.55) CCR1CYP2C19KCNH2

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-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed