SCHEMBL9852730

SCHEMBL9852730

CC(=O)Cc1cccc(OCc2ccc3ccc(F)cc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.55
NR4A2 P43354 3/20 0.50
MRGPRX4 Q96LA9 2/20 0.50
MAOA P21397 2/20 0.50

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
SCHEMBL9079802 0.89 MRGPRX4 (0.56) MAOBMRGPRX4
SCHEMBL13942576 0.83 CYP19A1 (0.42) MAOA
SCHEMBL5239014 0.81 PTGS1 (0.45) MAOBMAOA
SCHEMBL670027 0.79 MAOB (0.68) MAOBNR4A2MAOA
SCHEMBL9137632 0.78 MAOB (0.47) MAOBNR4A2MAOA
SCHEMBL16079800 0.77 MAOB (0.77) MAOBNR4A2MRGPRX4MAOA
SCHEMBL9080535 0.77 MRGPRX4 (0.60) MAOBNR4A2MRGPRX4
SCHEMBL27564330 0.76 MAOB (0.67) MAOBNR4A2MRGPRX4MAOA
SCHEMBL5090803 0.75 NR4A2 (0.68) MAOBNR4A2MRGPRX4MAOA
SCHEMBL6445857 0.74 MAOB (0.61) MAOBNR4A2MRGPRX4MAOA

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-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 EP disclosed