SCHEMBL18901437

SCHEMBL18901437

O=C(C1CCC(NC2CCOCC2)C1)N1CC=C(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.65
NAMPT P43490 8/20 0.45
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CCR5 P51681 1/20 0.42
PIM1 P11309 1/20 0.41
CSNK1E P49674 1/20 0.41
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 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
SCHEMBL18901516 0.88 CCR2 (0.54) CCR2NAMPTKDM1AMAOAMAOB
SCHEMBL18901509 0.87 NAMPT (0.55) CCR2NAMPTKDM4EUSP2ALDH1A1
SCHEMBL18901621 0.85 CCR2 (0.52) CCR2NAMPTCCR5
SCHEMBL10738116 0.84 CCR2 (0.52) CCR2NAMPTKDM4EUSP2ALDH1A1
SCHEMBL18901434 0.82 NAMPT (0.44) CCR2NAMPTKDM4EUSP2ALDH1A1
SCHEMBL10743874 0.80 CNR1 (0.53) CCR2NAMPTKDM4EUSP2ALDH1A1
SCHEMBL3322634 0.79 CCR2 (1.00) CCR2CCR5
SCHEMBL14011045 0.79 CCR2 (1.00) CCR2CCR5
SCHEMBL18901610 0.79 POLB (0.64) CCR2CCR5USP2ALDH1A1TSHR
SCHEMBL18901526 0.79 CCR2 (0.64) CCR2NAMPTKDM1AMAOAMAOB

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