SCHEMBL10574081

SCHEMBL10574081

COc1cc(Cl)ccc1-c1nc2ccc(C(C)(C)CN)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 16/20 0.56
▸ ADORA2B P29275 1/20 0.41
▸ NPBWR1 P48145 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL10574074 0.91 AMY1A (0.47) AMY1AADORA2B
SCHEMBL10580044 0.85 AMY1A (0.41) AMY1ANPBWR1
SCHEMBL10574102 0.84 AMY1A (0.50) AMY1AADORA2BNPBWR1HRH4
SCHEMBL10693991 0.79 AMY1A (0.45) AMY1ANPBWR1
SCHEMBL10579204 0.79 ALOX5 (0.62) AMY1ANPBWR1
SCHEMBL10576332 0.77 AMY1A (0.38) AMY1A
SCHEMBL1483091 0.76 AMY1A (0.65) AMY1A
SCHEMBL10575984 0.76 SCN10A (0.38) AMY1ANPBWR1
SCHEMBL10573910 0.76 SLC2A1 (0.62) NPBWR1
SCHEMBL10574093 0.76 AMY1A (0.43) AMY1AADORA2B

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-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
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