SCHEMBL3352228

SCHEMBL3352228

Cc1cc2ccc([N+](=O)[O-])cc2n1C1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
ACHE P22303 1/20 0.43
HRH4 Q9H3N8 4/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PKM P14618 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 3/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38

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
SCHEMBL12367515 0.85 SIRT2 (0.45) HTR7ACHEHRH4SIRT6SIRT2
SCHEMBL3354596 0.79 ACHE (0.48) HTR7ACHEHRH4SIRT6ALDH1A1
SCHEMBL3353280 0.78 HTR7 (0.53) HTR7ACHEHRH4SIRT6HIF1A
SCHEMBL8531640 0.78 HTR2A (0.43) ALDH1A1OPRM1OPRL1
SCHEMBL3353952 0.77 KDM4E (0.41) HRH4ALDH1A1OPRM1OPRL1MAPT
SCHEMBL3356604 0.76 HTR1A (0.52) HTR7ACHEHRH4SIRT6HIF1A
SCHEMBL3354240 0.75 HTR7 (0.45) HTR7ACHEHRH4SIRT6ALDH1A1
SCHEMBL3349648 0.75 ACHE (0.41) HTR7ACHESIRT6SIRT2ALDH1A1
SCHEMBL3356653 0.75 LMNA (0.42) HTR7ACHESIRT6SIRT2ALDH1A1
SCHEMBL10413622 0.74 MAPT (0.51) HTR7ACHEALDH1A1PKMNPC1

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed