SCHEMBL5319196

SCHEMBL5319196

O=C(C=Cc1ccc(C(F)(F)F)cc1)N1CCC(C(CCl)N2CCC(c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.56
GPR183 P32249 1/20 0.43
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5319191 0.80 CCR1 (0.38) CCR2
SCHEMBL5315280 0.78 CCR2 (0.64) CCR2
SCHEMBL5946991 0.74 CCR2 (0.51) CCR2
SCHEMBL5946996 0.74 CCR2 (0.51) CCR2
SCHEMBL9653792 0.71 GPR183 (0.60) CCR2GPR183GAANPC1RAB9A
SCHEMBL9653786 0.71 GPR183 (0.60) CCR2GPR183GAANPC1RAB9A
SCHEMBL14386912 0.71 CCR2 (0.68) CCR2GPR183NPC1RAB9A
SCHEMBL5325883 0.71 CCR2 (0.68) CCR2GPR183NPC1RAB9A
SCHEMBL9654393 0.70 HPGD (0.78) GPR183GAANPC1RAB9ALMNA
SCHEMBL9654396 0.70 HPGD (0.78) GPR183GAANPC1RAB9ALMNA

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