SCHEMBL4020337

SCHEMBL4020337

CSc1nccc(N2CCN(C(C=O)n3nc(C(F)(F)F)c(Cl)c3C)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 1/20 0.35
TRPV1 Q8NER1 3/20 0.33
CCR1 P32246 13/20 0.33
OGA O60502 1/20 0.32
SORD Q00796 1/20 0.32
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4016957 0.82 KDM4E (0.44) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL6170444 0.80 CCR1 (0.42) CCR1CYP2C19KCNH2
SCHEMBL4314605 0.80 HRH3 (0.47) ALDH1A1LMNASMN1; SMN2HTR6CCR1
SCHEMBL4014891 0.80 CCR1 (0.37) LMNACCR1OGA
SCHEMBL4012574 0.79 OGA (0.36) CCR1OGACYP2C19KCNH2
SCHEMBL4017114 0.79 CCR1 (0.39) CCR1OGACYP2C19KCNH2
SCHEMBL4313193 0.79 CCR1 (0.46) CCR1CYP2C19KCNH2
SCHEMBL4019904 0.78 CCR1 (0.53) ALDH1A1LMNAMAPTCCR1CYP2C19
SCHEMBL4018625 0.78 CCR1 (0.53) CCR1CYP2C19KCNH2
SCHEMBL4019945 0.78 OGA (0.41) CCR1OGACYP2C19KCNH2

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