SCHEMBL5233385

SCHEMBL5233385

CCOC1CNCC1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.62
KCNH2 Q12809 4/20 0.59
CYP2D6 P10635 1/20 0.53

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
SCHEMBL745465 1.00 CCR2 (0.62) CCR2KCNH2CYP2D6
SCHEMBL10281034 1.00 CCR2 (0.62) CCR2KCNH2CYP2D6
SCHEMBL745466 1.00 CCR2 (0.62) CCR2KCNH2CYP2D6
SCHEMBL12400817 0.92 CCR2 (0.63) CCR2KCNH2CYP2D6
Hydrochloric Acid SCHEMBL745504 0.92 CCR2 (0.62) CCR2KCNH2CYP2D6
SCHEMBL5311402 0.88 CCR2 (0.55) CCR2
SCHEMBL1361313 0.88 CCR2 (0.55) CCR2
SCHEMBL12232387 0.85 CCR2 (0.46) CCR2KCNH2
SCHEMBL1360729 0.83 CCR2 (0.67) CCR2
SCHEMBL745054 0.83 CCR2 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO disclosed