SCHEMBL937053

SCHEMBL937053

COC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4Cl)ncnc32)[C@H](O)[C@@H]1N

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.73
ADORA1 P30542 4/20 0.63
ADORA2A P29274 1/20 0.60

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
SCHEMBL7512284 0.91 ADORA3 (0.69) ADORA3ADORA1ADORA2A
SCHEMBL29389782 0.91 ADORA3 (0.83) ADORA3ADORA1
SCHEMBL935050 0.91 ADORA3 (0.83) ADORA3ADORA1
SCHEMBL24615060 0.85 ADORA3 (0.76) ADORA3ADORA1
SCHEMBL19459489 0.83 ADORA3 (0.82) ADORA3ADORA1
SCHEMBL19520735 0.82 ADORA3 (0.69) ADORA3ADORA1
SCHEMBL6214808 0.82 ADORA3 (0.89) ADORA3ADORA1ADORA2A
SCHEMBL6214803 0.82 ADORA3 (0.89) ADORA3ADORA1ADORA2A
SCHEMBL6211242 0.82 ADORA3 (0.86) ADORA3ADORA1
SCHEMBL6211758 0.82 ADORA3 (1.00) ADORA3ADORA1ADORA2A

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-2456419-B1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION ORADIN PHARMACEUTICAL LTD (IL) 2016-11-23 EP disclosed
EP-2456419-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION Oradin Pharmaceutical Ltd. (IL) 2012-05-30 EP disclosed
WO-2011010306-A1 A3 ADENOSINE RECEPTOR LIGANDS FOR MODULATION OF PIGMENTATION RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-01-27 WO disclosed