SCHEMBL5239791

SCHEMBL5239791

NCC(=O)NC1CCN(C2CCC(O)(c3ccccn3)CC2)C1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.63
KCNH2 Q12809 5/20 0.42
SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL745736 1.00 CCR2 (0.63) CCR2KCNH2SLC6A5
SCHEMBL742586 0.87 CCR2 (0.59) CCR2KCNH2SLC6A5
SCHEMBL742585 0.87 CCR2 (0.59) CCR2KCNH2SLC6A5
SCHEMBL5235112 0.87 CCR2 (0.59) CCR2KCNH2SLC6A5
SCHEMBL742587 0.87 CCR2 (0.59) CCR2KCNH2SLC6A5
SCHEMBL765654 0.81 CCR2 (0.56) CCR2
SCHEMBL12208931 0.81 CCR2 (0.56) CCR2
SCHEMBL744533 0.81 CCR2 (0.70) CCR2KCNH2
SCHEMBL13049211 0.81 CCR2 (0.70) CCR2KCNH2
SCHEMBL13049208 0.80 CCR2 (0.57) 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