SCHEMBL18901425

SCHEMBL18901425

CCC1COCCC1N[C@@H]1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.68
CCR5 P51681 14/20 0.68
POLB P06746 1/20 0.54
KCNH2 Q12809 1/20 0.51

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
SCHEMBL18901536 0.91 CCR2 (0.70) CCR2CCR5POLB
SCHEMBL18901537 0.91 CCR2 (0.70) CCR2CCR5POLB
SCHEMBL18901618 0.89 CCR2 (0.67) CCR2CCR5POLB
SCHEMBL18901614 0.89 CCR2 (0.67) CCR2CCR5POLB
SCHEMBL18901809 0.89 CCR2 (0.54) CCR2CCR5KCNH2
SCHEMBL18901675 0.85 CCR2 (0.69) CCR2CCR5KCNH2
SCHEMBL18901610 0.84 POLB (0.64) CCR2CCR5POLB
SCHEMBL18901533 0.84 POLB (0.64) CCR2CCR5POLB
SCHEMBL18901621 0.82 CCR2 (0.52) CCR2CCR5KCNH2
SCHEMBL13361836 0.81 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