SCHEMBL4015035

SCHEMBL4015035

COc1cc(N2CCN(C(C=O)n3nc(C(F)(F)F)c(Cl)c3-c3ccccn3)[C@@H](C)C2)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.38
GHSR Q92847 1/20 0.34
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RBP4 P02753 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 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
SCHEMBL4013895 0.81 PPOX (0.34) CCR1ALDH1A1LMNATP53TSHR
SCHEMBL3464212 0.79 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL3464214 0.79 CCR1 (0.60) CCR1CYP2C19KCNH2
SCHEMBL4019856 0.79 CCR1 (0.51) CCR1CYP2C19KCNH2
SCHEMBL3638427 0.79 CCR1 (0.35) CCR1KCNH2ALDH1A1LMNATP53
SCHEMBL3633519 0.79 CCR1 (0.43) CCR1KCNH2ALDH1A1LMNATP53
SCHEMBL3632485 0.78 PPOX (0.35) CCR1KCNH2ALDH1A1LMNATP53
SCHEMBL3638542 0.77 TRPV1 (0.34) KCNH2ALDH1A1LMNATP53TSHR
SCHEMBL4016624 0.76 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL4449803 0.75 PPOX (0.36) CCR1ALDH1A1LMNATP53TSHR

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