SCHEMBL14733133

SCHEMBL14733133

CO/N=C(\C)c1cccc(CCCc2cc(C)nc(-c3cccc(C)n3)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.36
TGFBR1 P36897 1/20 0.36
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL14732923 0.90 CCR1 (0.42) CCR1CCR8HSP90AA1
SCHEMBL14733059 0.90 CCR1 (0.42) CCR1CCR8HSP90AA1
SCHEMBL14733014 0.88 GRM5 (0.34) CCR1CCR8HSP90AA1
SCHEMBL14733144 0.86 TGFBR1 (0.32) FFAR1TGFBR1
SCHEMBL5020347 0.84 TGFBR1 (0.36) FFAR1TGFBR1CCR1CCR8HSP90AA1
SCHEMBL5020443 0.81 HSP90AA1 (0.35) FFAR1TGFBR1CCR1CCR8HSP90AA1
SCHEMBL14733145 0.81 IRAK4 (0.36) FFAR1TGFBR1CCR1CCR8HSP90AA1
SCHEMBL882881 0.79 CYP4F2 (0.32)
SCHEMBL14732901 0.79 CCR1 (0.50) FFAR1TGFBR1CCR1CCR8
SCHEMBL5020348 0.78 TGFBR1 (0.34) FFAR1TGFBR1

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
WO-2013026866-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed