SCHEMBL18901522

SCHEMBL18901522

CCC1COCCC1NC1CCC(C(=O)N2CC=C(c3cc(C(F)(F)F)ccn3)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.51
KCNH2 Q12809 4/20 0.51
CCR5 P51681 5/20 0.44
MAP3K12 Q12852 1/20 0.39
NAMPT P43490 2/20 0.39

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
SCHEMBL18901621 0.87 CCR2 (0.52) CCR2KCNH2CCR5NAMPT
SCHEMBL18901558 0.85 CCR2 (0.42) CCR2KCNH2CCR5NAMPT
SCHEMBL3326416 0.83 CCR2 (0.72) CCR2KCNH2CCR5
SCHEMBL14011057 0.83 CCR2 (0.72) CCR2KCNH2CCR5
SCHEMBL18901675 0.82 CCR2 (0.69) CCR2KCNH2CCR5
SCHEMBL18901551 0.80 SYK (0.46) MAP3K12
SCHEMBL18901821 0.76 TRPV1 (0.39) MAP3K12NAMPT
SCHEMBL18901516 0.76 CCR2 (0.54) CCR2CCR5NAMPT
SCHEMBL18901425 0.76 CCR2 (0.68) CCR2KCNH2CCR5
SCHEMBL18901697 0.75 CCR2 (0.54) CCR2KCNH2CCR5

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