SCHEMBL4014657

SCHEMBL4014657

CCOc1cc(N2CCN(C(C=O)n3nc(C)c(Cl)c3-c3ncccn3)CC2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.43
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BRD4 O60885 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MGLL Q99685 1/20 0.34
PTGDR Q13258 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL6193030 0.78 CCR1 (0.62) CCR1CYP2C19KCNH2
SCHEMBL3464216 0.77 CCR1 (0.64) CCR1CYP2C19KCNH2
SCHEMBL3857556 0.76 CCR1 (0.37) CCR1CYP2C19KCNH2
SCHEMBL3637059 0.75 CCR1 (0.49) CCR1MAPTCYP2C19KCNH2
SCHEMBL4017083 0.75 CCR1 (0.50) CCR1CYP2C19KCNH2
SCHEMBL4016355 0.74 CCR1 (0.45) CCR1MAPTLMNANPSR1BRD4
SCHEMBL2353590 0.74 CCR1 (0.57) CCR1MAPTLMNANPSR1BRD4
SCHEMBL4306237 0.73 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4307691 0.73 CCR1 (0.37) CCR1CYP2C19KCNH2
SCHEMBL4014907 0.73 CCR1 (0.45) 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 3 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