SCHEMBL5335907

SCHEMBL5335907

COCc1cnc(C2(O)CCC(N3CCC(NC(=O)CCC(=NO)c4cccc(C(F)(F)F)c4)C3)CC2)s1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.55
KCNH2 Q12809 8/20 0.55

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
SCHEMBL744151 1.00 CCR2 (0.55) CCR2KCNH2
SCHEMBL744152 1.00 CCR2 (0.55) CCR2KCNH2
SCHEMBL744836 0.92 CCR2 (0.53) CCR2KCNH2
SCHEMBL744835 0.92 CCR2 (0.53) CCR2KCNH2
SCHEMBL745453 0.92 CCR2 (0.58) CCR2KCNH2
SCHEMBL764097 0.92 CCR2 (0.58) CCR2KCNH2
SCHEMBL3653041 0.90 CCR2 (0.58) CCR2KCNH2
SCHEMBL12401123 0.90 CCR2 (0.58) CCR2KCNH2
SCHEMBL745100 0.87 CCR2 (0.73) CCR2KCNH2
SCHEMBL13080193 0.84 CCR2 (0.58) CCR2KCNH2

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