SCHEMBL4019904

SCHEMBL4019904

Cc1c(Cl)c(C(F)(F)F)nn1C(C=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 18/20 0.53
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
DCTPP1 Q9H773 1/20 0.38

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
SCHEMBL4018625 0.91 CCR1 (0.53) CCR1HTTCYP2C19KCNH2
SCHEMBL4022376 0.90 CCR1 (0.54) CCR1HTTCYP2C19KCNH2
SCHEMBL6186440 0.88 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL4020846 0.88 CCR1 (0.56) CCR1LMNACYP2C19KCNH2
SCHEMBL4019925 0.87 CCR1 (0.40) CCR1LMNAHTTCYP2C19KCNH2
SCHEMBL4013644 0.87 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL6171009 0.87 CCR1 (0.47) CCR1MAPTHTTCYP2C19KCNH2
SCHEMBL4019136 0.87 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL4018084 0.86 LMNA (0.42) CCR1ALDH1A1LMNAMAPT
SCHEMBL4016053 0.86 CCR1 (0.57) 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