SCHEMBL15324872

SCHEMBL15324872

COC1COCCC1NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 1.00
KCNH2 Q12809 8/20 1.00
CCR5 P51681 4/20 1.00

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
SCHEMBL4146276 1.00 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL13627578 1.00 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL3326860 0.90 CCR2 (0.86) CCR2KCNH2CCR5
SCHEMBL13334954 0.90 CCR2 (0.86) CCR2KCNH2CCR5
SCHEMBL3030204 0.89 CCR2 (0.91) CCR2KCNH2CCR5
SCHEMBL13334959 0.88 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4141275 0.88 CCR2 (0.79) CCR2KCNH2CCR5
SCHEMBL3324613 0.88 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4151276 0.88 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4333693 0.88 CCR2 (1.00) 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-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 US disclosed