SCHEMBL745554

SCHEMBL745554

CN(C)C(=O)c1cnc(C2(O)CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.73
KCNH2 Q12809 8/20 0.73

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
SCHEMBL745553 1.00 CCR2 (0.73) CCR2KCNH2
SCHEMBL744424 0.92 CCR2 (0.75) CCR2KCNH2
SCHEMBL12400994 0.92 CCR2 (0.75) CCR2KCNH2
SCHEMBL744128 0.91 CCR2 (0.74) CCR2KCNH2
SCHEMBL744140 0.91 CCR2 (0.73) CCR2KCNH2
SCHEMBL743893 0.90 CCR2 (0.90) CCR2KCNH2
SCHEMBL745107 0.89 CCR2 (0.71) CCR2KCNH2
SCHEMBL743862 0.88 CCR2 (0.76) CCR2KCNH2
SCHEMBL744270 0.88 CCR2 (0.76) CCR2KCNH2
SCHEMBL12400977 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 EP claimed