SCHEMBL18259123

SCHEMBL18259123

CC1COCCC1N[C@H]1CC[C@](C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.77
▸ CCR5 P51681 15/20 0.77
▸ KCNH2 Q12809 2/20 0.58

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
SCHEMBL3325663 1.00 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL14011030 1.00 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL18259120 0.91 CCR2 (0.69) CCR2CCR5KCNH2
SCHEMBL3324993 0.91 CCR2 (0.69) CCR2CCR5KCNH2
SCHEMBL14011036 0.91 CCR2 (0.69) CCR2CCR5KCNH2
SCHEMBL4153813 0.90 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL3326045 0.88 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL13361892 0.87 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3325543 0.87 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL18901613 0.87 CCR2 (1.00) 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-B1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2016-11-30 — — EP claimed
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