SCHEMBL18901568

SCHEMBL18901568

Cc1cc(C(F)(F)F)cc(N2CCN(C(=O)C3CCC(NC4CCOCC4C)C3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.46
CCR5 P51681 5/20 0.46
KCNH2 Q12809 6/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL18901839 0.87 CCR2 (0.57) CCR2CCR5KCNH2
SCHEMBL18901708 0.87 CCR2 (0.57) CCR2CCR5KCNH2
SCHEMBL18901428 0.87 CCR2 (0.57) CCR2CCR5KCNH2
SCHEMBL18901677 0.83 CCR2 (0.56) CCR2CCR5KCNH2
SCHEMBL18901618 0.81 CCR2 (0.67) CCR2CCR5
SCHEMBL18901614 0.81 CCR2 (0.67) CCR2CCR5
SCHEMBL3322680 0.81 CCR2 (0.71) CCR2CCR5KCNH2
SCHEMBL18901623 0.78 CCR2 (0.55) CCR2CCR5KCNH2
SCHEMBL18901441 0.78 CCR2 (0.55) CCR2CCR5KCNH2
SCHEMBL18901675 0.76 CCR2 (0.69) 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