SCHEMBL5264815

SCHEMBL5264815

COc1ccc(C2CCN(C(CO)C3CCN(C=CC(=O)c4ccc(F)c(F)c4)CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.44
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
ALOX12 P18054 1/20 0.42
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 1/20 0.38
USP5 P45974 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
SCHEMBL5354245 0.85 USP2 (0.43) CCR2USP2ALDH1A1MAPTALOX12
SCHEMBL5315276 0.80 CCR2 (0.44) CCR2
SCHEMBL5264818 0.80 CCR2 (0.63) CCR2ALDH1A1MAPT
SCHEMBL5946915 0.80 CCR2 (0.63) CCR2ALDH1A1MAPT
SCHEMBL5326187 0.78 USP2 (0.41) CCR2USP2ALDH1A1MAPTALOX12
SCHEMBL5324768 0.78 CCR2 (0.49) CCR2USP2ALDH1A1MAPTALOX12
SCHEMBL5324932 0.76 CCR2 (0.47) CCR2USP2ALDH1A1MAPTALOX12
SCHEMBL5322776 0.76 CCR2 (0.46) CCR2USP2ALDH1A1MAPTALOX12
SCHEMBL5389538 0.75 CCR2 (0.73) CCR2
SCHEMBL5947137 0.75 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