SCHEMBL4020055

SCHEMBL4020055

COc1cc(N2CCN(C(C=O)n3nc(I)c4ccccc43)CC2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CCR1 P32246 17/20 0.41
TP53 P04637 1/20 0.38
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2354678 0.88 CCR1 (0.48) MAPTCCR1
SCHEMBL4013588 0.83 CCR1 (0.49) CCR1CYP2C19KCNH2
SCHEMBL3635666 0.81 CCR1 (0.50) MAPTCCR1
SCHEMBL4310454 0.81 CCR1 (0.43) MAPTCCR1
SCHEMBL4693265 0.81 CCR1 (0.44) MAPTCCR1CYP2C19KCNH2
SCHEMBL3636885 0.81 CCR1 (0.41) MAPTCCR1
SCHEMBL3637059 0.80 CCR1 (0.49) MAPTCCR1CYP2C19KCNH2
SCHEMBL3640142 0.79 CCR1 (0.48) MAPTCCR1CYP2C19KCNH2
SCHEMBL3634696 0.79 CCR1 (0.46) MAPTCCR1CYP2C19KCNH2
SCHEMBL4696966 0.78 CCR1 (0.51) MAPTCCR1

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