SCHEMBL18901441

SCHEMBL18901441

CC1COCCC1NC1CCC(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 16/20 0.55
CCR5 P51681 5/20 0.55
KCNH2 Q12809 5/20 0.55
PKM P14618 2/20 0.42
SLC6A7 Q99884 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL18901623 1.00 CCR2 (0.55) CCR2CCR5KCNH2PKMSLC6A7
SCHEMBL18901697 0.90 CCR2 (0.54) CCR2CCR5KCNH2PKMSLC6A7
SCHEMBL18901636 0.87 CCR2 (0.53) CCR2CCR5KCNH2PKMSLC6A7
SCHEMBL18901839 0.83 CCR2 (0.57) CCR2CCR5KCNH2
SCHEMBL18901428 0.83 CCR2 (0.57) CCR2CCR5KCNH2
SCHEMBL18901708 0.83 CCR2 (0.57) CCR2CCR5KCNH2
SCHEMBL14037099 0.83 CCR2 (0.54) CCR2CCR5KCNH2PKMSLC6A7
SCHEMBL3325003 0.82 CCR2 (0.66) CCR2CCR5KCNH2
SCHEMBL13335024 0.82 CCR2 (0.66) CCR2CCR5KCNH2
SCHEMBL14011061 0.81 CCR2 (0.82) 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