SCHEMBL9404348

SCHEMBL9404348

CC(C)Oc1ccccc1OC[C@@H](C)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.62
ADORA3 P0DMS8 2/20 0.61
ADORA2A P29274 2/20 0.61
HTR2C P28335 1/20 0.61

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
SCHEMBL8908509 1.00 ADORA1 (0.62) ADORA1ADORA3ADORA2AHTR2C
SCHEMBL9404414 0.89 ADORA1 (0.68) ADORA1ADORA3ADORA2AHTR2C
SCHEMBL8910560 0.89 ADORA1 (0.68) ADORA1ADORA3ADORA2AHTR2C
SCHEMBL8909117 0.89 ADORA1 (0.68) ADORA1ADORA3ADORA2AHTR2C
SCHEMBL8910803 0.89 ADORA1 (0.68) ADORA1ADORA3ADORA2AHTR2C
SCHEMBL3847109 0.89 ADORA1 (0.68) ADORA1ADORA3ADORA2AHTR2C
SCHEMBL3847115 0.89 ADORA1 (0.68) ADORA1ADORA3ADORA2AHTR2C
SCHEMBL9404281 0.85 ADORA1 (0.61) ADORA1ADORA3ADORA2AHTR2C
SCHEMBL8909940 0.85 ADORA1 (0.61) ADORA1ADORA3ADORA2AHTR2C
SCHEMBL9404423 0.84 ADORA1 (0.72) ADORA1ADORA3ADORA2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP claimed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO claimed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed