SCHEMBL5362249

SCHEMBL5362249

Cc1c(Cl)c(C(F)(F)F)nn1C(C=O)N1CCC(CO)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.39
F10 P00742 1/20 0.38
KCNH2 Q12809 3/20 0.35
TACR1 P25103 2/20 0.35
SLC6A4 P31645 2/20 0.35
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5310532 0.91 F10 (0.38) CCR1F10KCNH2TACR1SLC6A4
SCHEMBL5373128 0.87 CCR1 (0.46) CCR1KCNH2CYP2C19
SCHEMBL5313190 0.85 CCR1 (0.37) CCR1F10KCNH2TACR1SLC6A4
SCHEMBL5314510 0.82 HSD11B1 (0.48) CCR1F10CYP2C19
SCHEMBL5312345 0.81 HSD11B1 (0.49) CCR1F10CYP2C19
SCHEMBL5308835 0.81 CCR1 (0.40) CCR1F10CYP2C19
SCHEMBL5313011 0.80 ALDH1A1 (0.49) CCR1F10CYP2C19
SCHEMBL5381831 0.80 HSD11B1 (0.39) CCR1F10CYP2C19
SCHEMBL5307882 0.80 OPRM1 (0.43) CCR1
SCHEMBL4018625 0.79 CCR1 (0.53) CCR1KCNH2CYP2C19

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