SCHEMBL4785502

SCHEMBL4785502

CCn1nc(C)nc1CCl

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
NR1H3 Q13133 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
SCHEMBL21960147 0.84 ADORA2A (0.33) ADORA2AADORA2B
SCHEMBL11287264 0.82 NR1H3 (0.38) ADORA2ANR1H3
SCHEMBL11290927 0.75 CYP1A2 (0.38)
SCHEMBL3988225 0.74
SCHEMBL13180564 0.73
SCHEMBL11293388 0.72
SCHEMBL23264381 0.70
SCHEMBL11538653 0.67
SCHEMBL4785675 0.67 ADORA2A (0.31) ADORA2AADORA2BNR1H3
SCHEMBL22796154 0.67 SMN1; SMN2 (0.42) 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