SCHEMBL4785675

SCHEMBL4785675

CCn1nc(CCl)nc1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
NR1H3 Q13133 1/20 0.30

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
SCHEMBL4783279 0.78 ADORA2A (0.31) ADORA2AADORA2B
SCHEMBL4799622 0.73
SCHEMBL13180564 0.72
Hydrochloric Acid SCHEMBL4786213 0.71 GAA (0.34)
SCHEMBL24610324 0.68
SCHEMBL23761187 0.68
SCHEMBL4785374 0.67
SCHEMBL4785502 0.67 ADORA2A (0.32) ADORA2AADORA2BNR1H3
SCHEMBL21217942 0.65 ADORA2A (0.31) ADORA2AADORA2B
SCHEMBL21888975 0.64 ADORA2A (0.31) ADORA2AADORA2B

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-2008074991-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-06-26 WO disclosed