SCHEMBL18901809

SCHEMBL18901809

CCC1COCCC1N[C@@H]1CC[C@H](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.54
CCR5 P51681 13/20 0.54
KCNH2 Q12809 2/20 0.54
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL18901677 0.89 CCR2 (0.56) CCR2CCR5KCNH2PIK3CDPIK3CA
SCHEMBL18901425 0.89 CCR2 (0.68) CCR2CCR5KCNH2
SCHEMBL18901675 0.84 CCR2 (0.69) CCR2CCR5KCNH2
SCHEMBL13361859 0.82 CCR2 (0.80) CCR2CCR5KCNH2
SCHEMBL3324343 0.82 CCR2 (0.80) CCR2CCR5KCNH2
SCHEMBL18901558 0.82 CCR2 (0.42) CCR2CCR5KCNH2
SCHEMBL18901536 0.80 CCR2 (0.70) CCR2CCR5
SCHEMBL18901537 0.80 CCR2 (0.70) CCR2CCR5
SCHEMBL18901697 0.79 CCR2 (0.54) CCR2CCR5KCNH2
SCHEMBL18901710 0.78 CCR2 (0.43) CCR2CCR5KCNH2

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