SCHEMBL3556647

SCHEMBL3556647

CC(C)C1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCC(NC2Cc3ccccc3C2)C1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.81
KCNH2 Q12809 8/20 0.71
CCR5 P51681 4/20 0.67

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
SCHEMBL3024315 1.00 CCR2 (0.81) CCR2KCNH2CCR5
SCHEMBL3027724 0.95 CCR2 (0.82) CCR2KCNH2CCR5
SCHEMBL3030083 0.90 CCR2 (0.86) CCR2KCNH2CCR5
SCHEMBL3030088 0.90 CCR2 (0.86) CCR2KCNH2CCR5
SCHEMBL13210563 0.87 CCR2 (0.81) CCR2KCNH2CCR5
SCHEMBL3030204 0.86 CCR2 (0.91) CCR2KCNH2CCR5
SCHEMBL3023537 0.86 CCR2 (0.72) CCR2KCNH2CCR5
SCHEMBL3325045 0.85 CCR2 (0.76) CCR2KCNH2CCR5
SCHEMBL3022796 0.85 CCR2 (0.71) CCR2KCNH2CCR5
SCHEMBL3026682 0.85 CCR2 (0.73) 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-7700624-B2 3-aminocyclopentanecrboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-04-20 US claimed