SCHEMBL748182

SCHEMBL748182

O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(O)(c3ccc(-c4ccccc4CO)cc3)CC2)C1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.77
KCNH2 Q12809 9/20 0.77

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
SCHEMBL744463 1.00 CCR2 (0.77) CCR2KCNH2
SCHEMBL14648245 0.93 CCR2 (0.75) CCR2KCNH2
SCHEMBL742823 0.93 CCR2 (0.75) CCR2KCNH2
SCHEMBL744764 0.91 CCR2 (0.75) CCR2KCNH2
SCHEMBL744227 0.90 CCR2 (0.89) CCR2KCNH2
SCHEMBL744188 0.88 CCR2 (0.89) CCR2KCNH2
SCHEMBL5240474 0.88 CCR2 (0.83) CCR2KCNH2
SCHEMBL744177 0.88 CCR2 (0.83) CCR2KCNH2
SCHEMBL742357 0.87 CCR2 (0.85) CCR2KCNH2
SCHEMBL745057 0.87 CCR2 (0.85) 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