SCHEMBL4016337

SCHEMBL4016337

COc1cc(N2CCN(C(C=O)n3nc(I)c(Cl)c3C)CC2)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.37
PPOX P50336 2/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.34
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL4449803 0.87 PPOX (0.36) CCR1PPOXLMNASMN1; SMN2ALDH1A1
SCHEMBL4018792 0.87 CCR1 (0.47) CCR1CYP2C19KCNH2
SCHEMBL4019585 0.86 CCR1 (0.43) CCR1PPOXLMNASMN1; SMN2ALDH1A1
SCHEMBL4021523 0.86 CCR1 (0.43) CCR1PPOXLMNASMN1; SMN2ALDH1A1
SCHEMBL3866250 0.84 ALDH1A1 (0.35) CCR1PPOXLMNASMN1; SMN2ALDH1A1
SCHEMBL4013588 0.82 CCR1 (0.49) CCR1CYP2C19KCNH2
SCHEMBL4565941 0.81 CCR1 (0.55) CCR1CYP2C19KCNH2
SCHEMBL4013750 0.80 CCR1 (0.41) CCR1PPOXLMNASMN1; SMN2ALDH1A1
SCHEMBL4021802 0.78 CCR1 (0.35) CCR1CYP2C19KCNH2MAPT
SCHEMBL4304679 0.78 CCR1 (0.48) 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