SCHEMBL18901697

SCHEMBL18901697

CCC1COCCC1N[C@@H]1CC[C@H](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.54
CCR5 P51681 5/20 0.54
KCNH2 Q12809 3/20 0.54
PKM P14618 2/20 0.41
SLC6A7 Q99884 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL18901441 0.90 CCR2 (0.55) CCR2CCR5KCNH2PKMSLC6A7
SCHEMBL18901623 0.90 CCR2 (0.55) CCR2CCR5KCNH2PKMSLC6A7
SCHEMBL18901675 0.84 CCR2 (0.69) CCR2CCR5KCNH2
SCHEMBL3322708 0.82 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL14011062 0.82 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL18901809 0.79 CCR2 (0.54) CCR2CCR5KCNH2
SCHEMBL18901425 0.79 CCR2 (0.68) CCR2CCR5KCNH2
SCHEMBL18901636 0.79 CCR2 (0.53) CCR2CCR5KCNH2PKMSLC6A7
SCHEMBL18901626 0.78 PKM (0.46) CCR2CCR5KCNH2PKMSLC6A7
SCHEMBL18901710 0.77 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