SCHEMBL13627654

SCHEMBL13627654

CCOC1COCCC1NC(CC)CC(C(=O)N1CC=C(c2cccc(C(F)(F)F)c2)CC1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 17/20 0.48
▸ CCR5 P51681 13/20 0.46
▸ KCNH2 Q12809 2/20 0.41
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ SOS1 Q07889 1/20 0.36

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
SCHEMBL13627815 0.94 CCR2 (0.48) CCR2CCR5KCNH2
SCHEMBL13628373 0.84 CCR2 (0.44) CCR2KCNH2
SCHEMBL13627581 0.84 NAMPT (0.39) KCNH2
SCHEMBL13627656 0.82 CCR2 (0.44) CCR2CCR5KCNH2
SCHEMBL13627813 0.80 CCR2 (0.36) CCR2CCR5KCNH2PPARGPPARA
SCHEMBL13741754 0.78 CCR2 (0.76) CCR2CCR5KCNH2
SCHEMBL4146542 0.78 CCR2 (0.76) CCR2CCR5KCNH2
SCHEMBL13627585 0.76 CCR2 (0.47) CCR2CCR5KCNH2
SCHEMBL4137680 0.71 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL4138600 0.71 CCR2 (0.78) 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
US-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 — — US disclosed
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