SCHEMBL6878206

SCHEMBL6878206

COCCN(C)c1ccc(OC)c2nc(-c3cc(CCl)ccc3C(N)=O)sc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 14/20 0.39
▸ ADORA2A P29274 13/20 0.39
▸ ADORA1 P30542 13/20 0.39
▸ CRHR1 P34998 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RAD52 P43351 1/20 0.34

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
SCHEMBL6872814 0.76 ADORA2B (0.63) ADORA2BADORA2AADORA1
SCHEMBL5713537 0.71 ADORA2B (0.44) ADORA2BADORA2AADORA1CRHR1
SCHEMBL6878422 0.69 ADORA2A (0.48) ADORA2BADORA2AADORA1MAPT
SCHEMBL5713556 0.68 ADORA2B (0.65) ADORA2BADORA2AADORA1
Hydrochloric Acid SCHEMBL6876107 0.67 ADORA2B (0.61) ADORA2BADORA2AADORA1
SCHEMBL6876108 0.66 ADORA2B (0.79) ADORA2BADORA2AADORA1
SCHEMBL6570942 0.66 ADORA2A (0.46) ADORA2BADORA2AADORA1
SCHEMBL6873459 0.66 ADORA2B (0.56) ADORA2BADORA2AADORA1
SCHEMBL6868235 0.65 ADORA2B (0.56) ADORA2BADORA2AADORA1
SCHEMBL31252170 0.65 LMNA (0.47) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456188-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 — — EP disclosed
WO-2003053946-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-03 — — WO disclosed
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