SCHEMBL9464867

SCHEMBL9464867

CC(C)c1nc(-c2ccco2)nn(CCN2CCOCC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.46
▸ HSF1 Q00613 1/20 0.46
▸ ADORA1 P30542 2/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ADA P00813 1/20 0.39

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
SCHEMBL9464969 0.84 TSHR (0.46) ALDH1A1GAA
SCHEMBL9465068 0.81 LMNA (0.50) ADORA2AHSF1ADORA1ALDH1A1KDM4E
SCHEMBL9464694 0.81 ALDH1A1 (0.47) ALDH1A1GAAHPGDHSD17B10MAPT
SCHEMBL9464977 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL9465183 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL9465001 0.80 CYP3A4 (0.46) ALDH1A1KDM4EGAA
SCHEMBL9465667 0.79 AVPR1B (0.54) ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL9464852 0.79 AVPR1B (0.53) ADORA2AADORA1ALDH1A1MAPT
SCHEMBL9464863 0.79 MAPT (0.42) ADORA2AHSF1ADORA1ADORA3ALDH1A1
SCHEMBL9465472 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHPGDHSD17B10

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-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
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