SCHEMBL18901516

SCHEMBL18901516

CC1COCCC1NC1CC[C@H](C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.54
CCR5 P51681 11/20 0.48
NAMPT P43490 5/20 0.42
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 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 0.90 CCR2 (0.52) CCR2CCR5NAMPT
SCHEMBL18901544 0.88 NAMPT (0.50) NAMPT
SCHEMBL18901437 0.88 CCR2 (0.65) CCR2CCR5NAMPTKDM1AMAOA
SCHEMBL3325857 0.82 CCR2 (0.81) CCR2CCR5
SCHEMBL14011048 0.82 CCR2 (0.81) CCR2CCR5
SCHEMBL18901618 0.81 CCR2 (0.67) CCR2CCR5
SCHEMBL18901830 0.81 CCR2 (0.53) CCR2CCR5
SCHEMBL18901614 0.81 CCR2 (0.67) CCR2CCR5
SCHEMBL10738116 0.80 CCR2 (0.52) CCR2NAMPT
SCHEMBL18901558 0.79 CCR2 (0.42) CCR2CCR5NAMPT

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