SCHEMBL9767276

SCHEMBL9767276

CC[C@@H]1Oc2ccc([N+](=O)[O-])cc2C(N)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MANBA O00462 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
AKR1B1 P15121 1/20 0.37
CACNA1C Q13936 1/20 0.35
ADRA2A P08913 1/20 0.35
PNMT P11086 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP1A2 P05177 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 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
SCHEMBL9767280 1.00 MANBA (0.39) MANBAMAPTNPSR1AKR1B1CACNA1C
SCHEMBL9767628 0.88 MAOB (0.35) MANBAMAPTNPSR1AKR1B1CACNA1C
SCHEMBL9767624 0.88 MAOB (0.35) MANBAMAPTNPSR1AKR1B1CACNA1C
SCHEMBL9767148 0.83 HIF1A (0.39) MAPTNPSR1AKR1B1ALDH1A1CYP3A4
SCHEMBL9767152 0.83 HIF1A (0.39) MAPTNPSR1AKR1B1ALDH1A1CYP3A4
SCHEMBL9767270 0.77 POLB (0.39) MAPTAKR1B1ADRA2APNMTADRA2B
SCHEMBL5695096 0.77 MAOB (0.38) MANBAMAPTNPSR1AKR1B1ALDH1A1
SCHEMBL9767097 0.74 TLR3 (0.39) MAPTNPSR1AKR1B1CACNA1CALDH1A1
SCHEMBL9767103 0.74 TLR3 (0.39) MAPTNPSR1AKR1B1CACNA1CALDH1A1
SCHEMBL9767130 0.74 AKR1B1 (0.40) MAPTNPSR1AKR1B1CACNA1CADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5072006-A Chemical intermeidate; hypotensive agents, muscle relaxants RECHERCHE SYNTEX FRANCE S.A. (FR) 1991-12-10 US disclosed
US-4997846-A Smooth muscle relaxants, hypotensives RESEARCHE SYNTEX FRANCE, S.A. (FR) 1991-03-05 US disclosed
EP-0377966-A2 Novel benzopyranylpyrrolinone derivatives RECHERCHE SYNTEX FRANCE SA (FR) 1990-07-18 EP disclosed