SCHEMBL2353633

SCHEMBL2353633

O=C(C(I)n1nc(-c2ncc[nH]2)c2cccnc21)N1CCN(c2ccc(Cl)c(OCCF)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 19/20 0.61
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
EGFR P00533 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
SCHEMBL1638693 0.85 CCR1 (0.82) CCR1CYP2C19KCNH2
SCHEMBL1690944 0.76 CCR1 (0.66) CCR1
SCHEMBL1639478 0.76 CCR1 (0.66) CCR1
Ccx354 SCHEMBL30538013 0.76 CCR1 (1.00) CCR1CYP2C19KCNH2
Ccx354 SCHEMBL30865101 0.76 CCR1 (1.00) CCR1CYP2C19KCNH2
Ccx354 SCHEMBL1638749 0.76 CCR1 (1.00) CCR1CYP2C19KCNH2
Ccx354 SCHEMBL29364104 0.76 CCR1 (1.00) CCR1CYP2C19KCNH2
SCHEMBL1638044 0.76 CCR1 (0.87) CCR1CYP2C19KCNH2
SCHEMBL2353590 0.76 CCR1 (0.57) CCR1
SCHEMBL1639499 0.74 CCR1 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352501-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS ChemoCentryx, Inc. (US) 2011-08-10 EP disclosed
WO-2010051561-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS CHEMOCENTRYX, INC. (US) 2010-05-06 WO disclosed