SCHEMBL18901534

SCHEMBL18901534

C=C(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2COC)C1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.78
CCR5 P51681 14/20 0.78
KCNH2 Q12809 2/20 0.50

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
SCHEMBL3324971 0.87 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL13361940 0.87 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL18901537 0.81 CCR2 (0.70) CCR2CCR5
SCHEMBL18901536 0.81 CCR2 (0.70) CCR2CCR5
SCHEMBL3326276 0.79 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL13361836 0.79 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL4138164 0.76 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL13613397 0.76 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3325543 0.75 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL13361892 0.75 CCR2 (1.00) CCR2CCR5KCNH2

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-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed