SCHEMBL18901573

SCHEMBL18901573

CC1COCCC1CNC1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.46
KCNH2 Q12809 3/20 0.46
CCR5 P51681 1/20 0.46
DRD2 P14416 5/20 0.44
DRD3 P35462 4/20 0.44
HTR1A P08908 4/20 0.42
DRD4 P21917 3/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SSTR3 P32745 1/20 0.39
ACACB O00763 5/20 0.38
PHGDH O43175 3/20 0.38
OPRM1 P35372 1/20 0.37

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
SCHEMBL18901716 0.79 CCR2 (0.51) CCR2KCNH2CCR5
Hydrochloric Acid SCHEMBL3331239 0.77 HRH3 (0.52) CCR2KCNH2CCR5DRD2DRD3
SCHEMBL18901699 0.74 HRH3 (0.49) CCR2KCNH2CCR5DRD2DRD3
SCHEMBL3025447 0.72 CCR2 (0.78) CCR2KCNH2CCR5
SCHEMBL18901441 0.72 CCR2 (0.55) CCR2KCNH2CCR5
SCHEMBL18901623 0.72 CCR2 (0.55) CCR2KCNH2CCR5
SCHEMBL3324318 0.70 CCR2 (0.63) CCR2KCNH2CCR5
SCHEMBL13335025 0.70 CCR2 (0.63) CCR2KCNH2CCR5
SCHEMBL3326356 0.69 CCR2 (0.82) CCR2KCNH2CCR5
SCHEMBL18901708 0.69 CCR2 (0.57) 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