SCHEMBL4274362

SCHEMBL4274362

COCCC1(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)CCC(NC2CCOCC2OC)C1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.77
KCNH2 Q12809 5/20 0.76
CCR5 P51681 4/20 0.76

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
SCHEMBL13613458 1.00 CCR2 (0.77) CCR2KCNH2CCR5
SCHEMBL4335714 1.00 CCR2 (0.77) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL4152303 0.97 CCR2 (0.73) CCR2KCNH2CCR5
SCHEMBL13613480 0.93 CCR2 (0.78) CCR2KCNH2CCR5
SCHEMBL4333707 0.93 CCR2 (0.78) CCR2KCNH2CCR5
SCHEMBL13335036 0.92 CCR2 (0.66) CCR2KCNH2CCR5
SCHEMBL3327035 0.92 CCR2 (0.66) CCR2KCNH2CCR5
SCHEMBL4331863 0.92 CCR2 (0.79) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL4138388 0.90 CCR2 (0.74) CCR2KCNH2CCR5
SCHEMBL13613478 0.90 CCR2 (0.77) 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