SCHEMBL2127182

SCHEMBL2127182

Cc1cc(C(=O)N(C)C)ccc1C1(O)CCC(N2CCC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.72
KCNH2 Q12809 9/20 0.72

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
SCHEMBL2127181 1.00 CCR2 (0.72) CCR2KCNH2
SCHEMBL2127148 0.92 CCR2 (0.75) CCR2KCNH2
SCHEMBL2127150 0.92 CCR2 (0.75) CCR2KCNH2
SCHEMBL744407 0.90 CCR2 (0.83) CCR2KCNH2
SCHEMBL5235145 0.90 CCR2 (0.83) CCR2KCNH2
SCHEMBL745031 0.90 CCR2 (0.78) CCR2KCNH2
SCHEMBL744187 0.90 CCR2 (0.67) CCR2KCNH2
SCHEMBL5234891 0.89 CCR2 (0.79) CCR2KCNH2
SCHEMBL744943 0.88 CCR2 (0.78) CCR2KCNH2
SCHEMBL744875 0.87 CCR2 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US claimed
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP claimed