SCHEMBL8972473

SCHEMBL8972473

C=CCC1=CCc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL295051 0.80 MAOA (0.43) MAOAMAOBGAANPSR1
SCHEMBL7217002 0.78 MAOA (0.45) MAOAMAOBGAANPSR1
SCHEMBL10824456 0.78 GABRA1 (0.33) GAANPSR1CYP1A2CYP3A4MAPT
SCHEMBL295013 0.77 MAOA (0.41) MAOAMAOBGAANPSR1
SCHEMBL9935109 0.77 MAOA (0.43) MAOAMAOBGAANPSR1
SCHEMBL3626527 0.77 MAOA (0.43) MAOAMAOBGAANPSR1
SCHEMBL4206535 0.77 MAOA (0.43) MAOAMAOBGAANPSR1
SCHEMBL3804887 0.76 CYP1A2 (0.38) CYP1A2CYP3A4MAPT
SCHEMBL11809072 0.75 GABRA1 (0.38) MAOAMAOBGAAADRA1DADRA1A
SCHEMBL294713 0.75 MAOA (0.38) MAOAMAOBGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1054848-C New benzopyran derivatives, their process of preparation and pharmaceutical compositions which contain them ADIR (FR) 2000-07-26 CN disclosed
CN-1132202-A New benzopyran derivatives, their process of preparation and pharmaceutical compositions which contain them ADIR (FR) 1996-10-02 CN disclosed
EP-0702010-A1 Benzopyranderivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-03-20 EP disclosed
US-5447943-A Smooth muscle relaxants or bronchodilators SYNTEX (U.S.A.) INC. (US) 1995-09-05 US disclosed
US-5250547-A Potassium channel activators; 5-lipoxygenase inhibitors; muscle relaxants; bronchodilators SYNTEX (U.S.A.) INC. (US) 1993-10-05 US disclosed
EP-0529654-A1 Benzopyran derivatives as potassium channel activators and 5-lipoxygenase inhibitors SYNTEX (U.S.A.) INC. (US) 1993-03-03 EP disclosed