SCHEMBL10508698

SCHEMBL10508698

c1ccc(COCCc2ccc3occc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 3/20 0.43
KCNA5 P22460 3/20 0.43
KCNA1 Q09470 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
HTR1B P28222 4/20 0.41
IDO1 P14902 1/20 0.41
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4440636 0.82 HTR1B (0.49) MRGPRX4MAOAMAOBHTR1BIDO1
SCHEMBL4440531 0.80 HTR1B (0.46) MRGPRX4MAOAMAOBHTR1BIDO1
SCHEMBL47973 0.78 CTNNB1 (0.43) MRGPRX4HTR1BCTNNB1WNT3A
SCHEMBL12344285 0.77 CYP2A6 (0.45) MRGPRX4MAOAMAOBHTR1BCTNNB1
SCHEMBL48789 0.77 HTR1B (0.41) MRGPRX4MAOAMAOBHTR1B
SCHEMBL16140300 0.76 HTR1B (0.46) MAOAMAOBHTR1BCTNNB1WNT3A
SCHEMBL10507927 0.76 HTR1B (0.50) HTR1BCTNNB1WNT3A
SCHEMBL1602111 0.76 HTR1B (0.53) MRGPRX4HTR1BIDO1CTNNB1WNT3A
Benzofuran SCHEMBL28622200 0.76 TSHR (0.56) KCNA3KCNA5KCNA1MRGPRX4MAOA
SCHEMBL3818271 0.75 HTR1B (0.43) HTR1BCTNNB1WNT3A

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
EP-0152340-B1 2-Sulfamoylbenzo[b]furan derivatives and ophtalmic composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1989-05-10 EP disclosed
US-4544667-A CARBONIC ANHYDRASE INHIBITOR; VISION DEFECTS MERCK & CO., INC. (US) 1985-10-01 US disclosed
EP-0152340-A1 2-Sulfamoylbenzo[b]furan derivatives and ophtalmic composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1985-08-21 EP disclosed