SCHEMBL5312337

SCHEMBL5312337

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.48
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL5373128 0.89 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL5313050 0.87 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL5307882 0.84 OPRM1 (0.43) CCR1OPRM1OPRD1OPRK1
SCHEMBL5368732 0.83 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL5450338 0.82 CCR1 (0.54) CCR1CYP2C19KCNH2
SCHEMBL4015802 0.82 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL4452507 0.77 CCR1 (0.71) CCR1CYP2C19KCNH2
SCHEMBL4565941 0.77 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL5313190 0.77 CCR1 (0.37) CCR1KCNH2SLC6A4
SCHEMBL5362249 0.76 CCR1 (0.39) CCR1CYP2C19KCNH2DRD2DRD4

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