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SCHEMBL3987100

SCHEMBL3987100

COC1COCCC1NC1CCC(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)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 11/20 1.00
▸ CCR5 P51681 5/20 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
SCHEMBL4146068 1.00 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL13627660 1.00 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL3326125 0.90 CCR2 (0.82) CCR2KCNH2CCR5
SCHEMBL18901440 0.90 CCR2 (0.82) CCR2KCNH2CCR5
SCHEMBL14011061 0.90 CCR2 (0.82) CCR2KCNH2CCR5
SCHEMBL15048477 0.90 CCR2 (0.82) CCR2KCNH2CCR5
SCHEMBL13613438 0.90 CCR2 (0.81) CCR2KCNH2CCR5
SCHEMBL4338193 0.90 CCR2 (0.81) CCR2KCNH2CCR5
SCHEMBL3322708 0.88 CCR2 (0.79) CCR2KCNH2CCR5
SCHEMBL14011062 0.88 CCR2 (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763347-A4 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2009-05-20 — — EP claimed
EP-1763347-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2007-03-21 — — EP claimed
WO-2006004741-A2 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2006-01-12 — — WO claimed