SCHEMBL5307635

SCHEMBL5307635

CCCC(=O)C1(c2ccccc2)CCN(C(C=O)n2nc(C(F)(F)F)c(Cl)c2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.39
OPRM1 P35372 6/20 0.36
OPRD1 P41143 5/20 0.36
OPRK1 P41145 5/20 0.36
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
MC1R Q01726 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5379498 0.93 CCR1 (0.40) CCR1OPRM1OPRD1OPRK1SLC22A1
SCHEMBL5307882 0.84 OPRM1 (0.43) CCR1OPRM1OPRD1OPRK1
SCHEMBL5314510 0.78 HSD11B1 (0.48) CCR1
SCHEMBL4449383 0.78 CCR1 (0.63) CCR1KCNH2
SCHEMBL5312345 0.78 HSD11B1 (0.49) CCR1
SCHEMBL5308835 0.77 CCR1 (0.40) CCR1OPRM1
SCHEMBL5313011 0.76 ALDH1A1 (0.49) CCR1
SCHEMBL5381831 0.76 HSD11B1 (0.39) CCR1
SCHEMBL5362249 0.76 CCR1 (0.39) CCR1SLC6A4KCNH2
SCHEMBL4019904 0.76 CCR1 (0.53) CCR1KCNH2

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