SCHEMBL4016493

SCHEMBL4016493

Cc1ccc(C)c(N2CCN(C(C=O)n3nc(C(F)(F)F)c(Cl)c3C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.39
POLB P06746 3/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4016510 0.89 CCR1 (0.43) CCR1MAPTCYP2C19KCNH2
SCHEMBL4019925 0.88 CCR1 (0.40) CCR1TSHRHTTLMNACYP2C19
SCHEMBL4014637 0.86 CCR1 (0.41) CCR1CYP2C19KCNH2
SCHEMBL4016533 0.84 CCR1 (0.39) CCR1TSHRMEN1KMT2AMAPT
SCHEMBL4304679 0.83 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL4018084 0.83 LMNA (0.42) CCR1POLBMEN1KMT2AMAPT
SCHEMBL4016053 0.83 CCR1 (0.57) CCR1CYP2C19KCNH2
SCHEMBL4013644 0.82 CCR1 (0.48) CCR1CYP2C19KCNH2
SCHEMBL4316179 0.82 CCR1 (0.43) CCR1CYP2C19KCNH2
SCHEMBL27662958 0.82 CCR1 (0.46) 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