SCHEMBL18901611

SCHEMBL18901611

CC(C)C1(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)CCC(NC2CCOCC2)C1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.70
CCR5 P51681 14/20 0.70
KCNH2 Q12809 2/20 0.53

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
SCHEMBL13361939 1.00 CCR2 (0.70) CCR2CCR5KCNH2
SCHEMBL3326201 1.00 CCR2 (0.70) CCR2CCR5KCNH2
SCHEMBL3326342 0.84 CCR2 (0.84) CCR2CCR5
SCHEMBL13361937 0.84 CCR2 (0.84) CCR2CCR5
SCHEMBL3330402 0.84 CCR2 (0.84) CCR2CCR5
SCHEMBL3327106 0.82 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3360369 0.82 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL13361832 0.82 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3326295 0.82 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL13361938 0.82 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