SCHEMBL4333707

SCHEMBL4333707

COC[C@]1(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)CC[C@@H](N[C@@H]2CCOCC2OC)C1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.78
KCNH2 Q12809 5/20 0.78
CCR5 P51681 4/20 0.78

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
SCHEMBL13613480 1.00 CCR2 (0.78) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL4138388 0.97 CCR2 (0.74) CCR2KCNH2CCR5
SCHEMBL4338200 0.94 CCR2 (0.77) CCR2KCNH2CCR5
SCHEMBL13613478 0.94 CCR2 (0.77) CCR2KCNH2CCR5
SCHEMBL4331863 0.94 CCR2 (0.79) CCR2KCNH2CCR5
SCHEMBL13613458 0.93 CCR2 (0.77) CCR2KCNH2CCR5
SCHEMBL4335714 0.93 CCR2 (0.77) CCR2KCNH2CCR5
SCHEMBL4274362 0.93 CCR2 (0.77) CCR2KCNH2CCR5
SCHEMBL13335050 0.92 CCR2 (0.66) CCR2KCNH2CCR5
SCHEMBL3324618 0.92 CCR2 (0.66) CCR2KCNH2CCR5

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 claimed