SCHEMBL13627585

SCHEMBL13627585

CCC(CC(C(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)C(C)C)NC1CCOCC1OC

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 15/20 0.47
▸ CCR5 P51681 7/20 0.47
▸ KCNH2 Q12809 2/20 0.42
▸ OPRM1 P35372 3/20 0.41
▸ OPRL1 P41146 3/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ CHRM4 P08173 1/20 0.40

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
SCHEMBL13627812 0.92 CCR2 (0.42) CCR2CCR5KCNH2
SCHEMBL13627811 0.89 CCR2 (0.38) CCR2CCR5KCNH2OPRM1OPRL1
SCHEMBL13627651 0.85 CCR2 (0.39) CCR2CCR5KCNH2
SCHEMBL13627815 0.82 CCR2 (0.48) CCR2CCR5KCNH2
SCHEMBL4153813 0.77 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL13627656 0.76 CCR2 (0.44) CCR2CCR5KCNH2
SCHEMBL13627654 0.76 CCR2 (0.48) CCR2CCR5KCNH2
SCHEMBL13627813 0.74 CCR2 (0.36) CCR2CCR5KCNH2
SCHEMBL13628373 0.74 CCR2 (0.44) CCR2KCNH2
SCHEMBL13627581 0.73 NAMPT (0.39) KCNH2

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
US-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 — — US disclosed
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