SCHEMBL4020846

SCHEMBL4020846

COc1ccc(N2CCN(C(C=O)n3nc(C(F)(F)F)c(Cl)c3C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 17/20 0.56
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4019136 0.91 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL4018625 0.90 CCR1 (0.53) CCR1CYP2C19KCNH2MEN1KMT2A
SCHEMBL4022376 0.89 CCR1 (0.54) CCR1CYP2C19KCNH2MEN1KMT2A
SCHEMBL4019904 0.88 CCR1 (0.53) CCR1CYP2C19KCNH2LMNA
SCHEMBL4015802 0.87 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL4316179 0.87 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL4016510 0.87 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL4013644 0.86 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL6171009 0.85 CCR1 (0.47) CCR1CYP2C19KCNH2
SCHEMBL6171132 0.85 CCR1 (0.51) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 WO disclosed
EP-1531822-A1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS Chemocentryx, Inc. (US) 2005-05-25 EP disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 WO disclosed