SCHEMBL4411598

SCHEMBL4411598

Cc1c[c]c2ncc(Cl)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL4397001 0.86 NOS1 (0.32)
SCHEMBL4397036 0.78 SMN1; SMN2 (0.36) CCR1CCR5CCR8
SCHEMBL4407094 0.78 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL4405857 0.78 HTT (0.31)
SCHEMBL4399733 0.78 PLAU (0.32)
SCHEMBL4409372 0.72
SCHEMBL4397674 0.72 PLAU (0.33)
SCHEMBL28292655 0.71 ALDH1A1 (0.34)
SCHEMBL4409649 0.68 ALDH1A1 (0.48) CCR1CCR5CCR8
SCHEMBL4401093 0.68 CYP2A6 (0.34) CCR1CCR5CCR8

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
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed