SCHEMBL7436829

SCHEMBL7436829

Nc1cc(Oc2cccc3c2CCCC3)cc2nc(-c3ccco3)nn12

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.49

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
SCHEMBL7426882 0.83 ADORA2A (0.52) ADORA2A
SCHEMBL7432349 0.76 ADORA2A (0.49) ADORA2A
SCHEMBL7431148 0.75 ADORA2A (0.51) ADORA2A
SCHEMBL7544601 0.75 ADORA2A (0.58) ADORA2A
SCHEMBL7708567 0.75 ADORA2A (0.51) ADORA2A
SCHEMBL7427470 0.69 ADORA2A (0.59) ADORA2A
SCHEMBL7480538 0.69 ADORA2A (0.65) ADORA2A
SCHEMBL7152951 0.69 ADORA2A (0.56) ADORA2A
SCHEMBL7430368 0.69 ADORA2A (0.66) ADORA2A
SCHEMBL7486137 0.68 ADORA2A (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed