SCHEMBL2138186

SCHEMBL2138186

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3ccc(F)cc3)CC2)CC1O

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.87
KCNH2 Q12809 11/20 0.71

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
SCHEMBL744184 1.00 CCR2 (0.87) CCR2KCNH2
SCHEMBL12400723 1.00 CCR2 (0.87) CCR2KCNH2
SCHEMBL765295 1.00 CCR2 (0.87) CCR2KCNH2
SCHEMBL744183 1.00 CCR2 (0.87) CCR2KCNH2
SCHEMBL743947 0.95 CCR2 (0.90) CCR2KCNH2
SCHEMBL743948 0.95 CCR2 (0.90) CCR2KCNH2
SCHEMBL746204 0.93 CCR2 (0.86) CCR2KCNH2
SCHEMBL741861 0.93 CCR2 (0.86) CCR2KCNH2
SCHEMBL5241477 0.93 CCR2 (0.86) CCR2KCNH2
SCHEMBL746370 0.93 CCR2 (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP disclosed