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SCHEMBL2127157

SCHEMBL2127157

CCCO[C@H]1CN(C2CCC(O)(c3ccc4c(c3)OOC4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.72
▸ KCNH2 Q12809 15/20 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
SCHEMBL746351 0.89 CCR2 (0.90) CCR2KCNH2
SCHEMBL5235777 0.88 CCR2 (0.89) CCR2KCNH2
SCHEMBL744837 0.88 CCR2 (0.89) CCR2KCNH2
SCHEMBL744838 0.88 CCR2 (0.89) CCR2KCNH2
SCHEMBL746219 0.86 CCR2 (0.78) CCR2KCNH2
SCHEMBL746218 0.86 CCR2 (0.78) CCR2KCNH2
SCHEMBL5237349 0.86 CCR2 (0.78) CCR2KCNH2
SCHEMBL745675 0.86 CCR2 (0.78) CCR2KCNH2
SCHEMBL745676 0.86 CCR2 (0.78) CCR2KCNH2
SCHEMBL13048952 0.85 CCR2 (0.77) 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 claimed