SCHEMBL6860974

SCHEMBL6860974

O=C(c1cccs1)c1nc(NCCCN2CCOCC2)nc2ccsc12

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.69
ADORA1 P30542 11/20 0.69
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
ADORA2B P29275 5/20 0.55
LMNA P02545 3/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL6858306 0.94 ADORA2A (0.68) ADORA2AADORA1GLAGAAADORA2B
SCHEMBL6859712 0.84 ADORA2A (0.76) ADORA2AADORA1ADORA2B
SCHEMBL2563401 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6217107 0.80 ADORA2A (0.80) ADORA2AADORA1ADORA2B
SCHEMBL6213678 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL2563739 0.80 ADORA2A (0.69) ADORA2AADORA1ADORA2B
SCHEMBL6215001 0.79 ADORA2A (0.81) ADORA2AADORA1ADORA2B
Hydrochloric Acid SCHEMBL6219814 0.78 ADORA2A (0.79) ADORA2AADORA1ADORA2B
SCHEMBL6216214 0.78 ADORA2A (0.79) ADORA2AADORA1ADORA2B
SCHEMBL6859817 0.77 ADORA2A (0.78) ADORA2AADORA1ADORA2B

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-6787541-B1 MOVEMENT DISORDERS, PARKINSON'S DISEASE VERNALIS RESEARCH LIMITED (GB) 2004-09-07 US disclosed