SCHEMBL18901716

SCHEMBL18901716

CC1COCCC1CNC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.51
KCNH2 Q12809 7/20 0.51
CCR5 P51681 2/20 0.48

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
SCHEMBL18901428 0.84 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL18901708 0.84 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL18901839 0.84 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL18901675 0.80 CCR2 (0.69) CCR2KCNH2CCR5
SCHEMBL18901573 0.79 CCR2 (0.46) CCR2KCNH2CCR5
SCHEMBL18901530 0.78 SYK (0.49) CCR2KCNH2CCR5
SCHEMBL18901429 0.75 SYK (0.49) CCR2KCNH2CCR5
SCHEMBL18544404 0.71 HRH3 (0.54) CCR2KCNH2
SCHEMBL13335007 0.71 CCR2 (0.83) CCR2KCNH2CCR5
SCHEMBL13335051 0.71 CCR2 (0.83) 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