SCHEMBL3813301

SCHEMBL3813301

CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(NCC(O)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 0.79
ADORA2A P29274 20/20 0.79
ADORA1 P30542 13/20 0.79
ADORA2B P29275 11/20 0.79

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
Gw-328267 SCHEMBL13268529 0.87 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL1983128 0.87 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL1979140 0.87 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL1980933 0.87 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL13268494 0.87 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL1983126 0.87 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL4390982 0.87 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL29369354 0.87 ADORA2A (1.00) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL5089293 0.86 ADORA2A (0.99) ADORA3ADORA2AADORA1ADORA2B
Gw-328267 SCHEMBL7228505 0.84 ADORA2A (0.93) ADORA3ADORA2AADORA1ADORA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478269-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF Otonomy, Inc. (US) 2019-05-08 EP disclosed
WO-2018005830-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF OTONOMY, INC. (US) 2018-01-04 WO disclosed
EP-2490722-A2 MODULATION OF GEL TEMPERATURE OF POLOXAMER-CONTAINING FORMULATIONS Otonomy, Inc. (US) 2012-08-29 EP disclosed
EP-2086533-A2 USE OF AN ADENOSINE ANTAGONIST Centre de Recherche Publique de la Santé (CRP-Santé) (LU) 2009-08-12 EP disclosed
WO-2008055711-A2 USE OF AN ADENOSINE ANTAGONIST CENTRE DE RECHERCHE PUBLIC DE LA SANTE (LU) 2008-05-15 WO disclosed