SCHEMBL7709129

SCHEMBL7709129

COc1ccc(-c2cc(N)n3nc(-c4ccco4)nc3c2)c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.56

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
SCHEMBL7708829 0.89 ADORA2A (0.70) ADORA2A
SCHEMBL7709135 0.86 ADORA2A (0.58) ADORA2A
SCHEMBL7486137 0.85 ADORA2A (0.54) ADORA2A
SCHEMBL7709024 0.84 NPC1 (0.41) ADORA2A
SCHEMBL7708869 0.84 ADORA2A (0.49) ADORA2A
SCHEMBL7478262 0.82 ADORA2A (0.56) ADORA2A
SCHEMBL7544601 0.80 ADORA2A (0.58) ADORA2A
SCHEMBL7703002 0.80 ADORA2A (0.47) ADORA2A
SCHEMBL7703042 0.79 ADORA2A (0.52) ADORA2A
SCHEMBL7705879 0.78 ADORA2A (0.56) ADORA2A

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-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed