SCHEMBL5315280

SCHEMBL5315280

O=C(C=Cc1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.64
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL5946985 0.88 CCR2 (0.62) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5946859 0.88 CCR2 (0.62) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5947056 0.88 CCR2 (0.62) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5947067 0.88 CCR2 (0.62) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5947065 0.88 CCR2 (0.62) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5946979 0.88 CCR2 (0.62) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5946991 0.87 CCR2 (0.51) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5946996 0.87 CCR2 (0.51) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5389538 0.80 CCR2 (0.73) CCR2
SCHEMBL5947137 0.80 CCR2 (0.73) CCR2

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-1802602-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-04 EP disclosed
WO-2006036527-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed