SCHEMBL5314510

SCHEMBL5314510

Cc1c(Cl)c(C(F)(F)F)nn1C(C=O)N1CCC(C(=O)N2CCCC2)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRIA2 P42262 1/20 0.45
F10 P00742 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CCR1 P32246 1/20 0.39

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
SCHEMBL5312345 0.99 HSD11B1 (0.49) HSD11B1CYP3A4CYP2C9CYP2C19GRIA2
SCHEMBL5308835 0.93 CCR1 (0.40) HSD11B1CYP3A4CYP2C9CYP2C19GRIA2
SCHEMBL5381831 0.92 HSD11B1 (0.39) HSD11B1CYP3A4CYP2C9CYP2C19GRIA2
SCHEMBL5313011 0.92 ALDH1A1 (0.49) HSD11B1CYP3A4CYP2C9CYP2C19GRIA2
SCHEMBL5313190 0.82 CCR1 (0.37) F10CCR1
SCHEMBL5362249 0.82 CCR1 (0.39) CYP2C19F10CCR1
SCHEMBL5310532 0.80 F10 (0.38) F10CCR1
SCHEMBL5379498 0.80 CCR1 (0.40) CCR1
SCHEMBL5307635 0.78 CCR1 (0.39) CCR1
SCHEMBL4458712 0.78 CCR1 (0.64) HSD11B1CYP2C19CCR1

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-2007073432-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-06-28 WO disclosed