SCHEMBL4874067

SCHEMBL4874067

COc1cccc(CC(C)(N)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
AOC3 Q16853 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAOB P27338 3/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CMA1 P23946 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL5222385 0.86 TAAR1 (0.58) TAAR1IDO1AGXTAOC3ALDH1A1
SCHEMBL22458119 0.83 TAAR1 (0.54) TAAR1IDO1AGXTAOC3ALDH1A1
SCHEMBL24177286 0.83 TAAR1 (0.54) TAAR1IDO1AGXTAOC3ALDH1A1
SCHEMBL73635 0.82 TAAR1 (0.56) TAAR1IDO1AGXTAOC3ALDH1A1
SCHEMBL29557981 0.79 TAAR1 (0.59) TAAR1IDO1AGXTAOC3ALDH1A1
SCHEMBL20746169 0.79 TAAR1 (0.59) TAAR1IDO1AGXTAOC3ALDH1A1
SCHEMBL809219 0.79 TAAR1 (0.53) TAAR1IDO1AGXTAOC3ALDH1A1
SCHEMBL8325279 0.79 TAAR1 (0.53) TAAR1IDO1AGXTAOC3MAOB
SCHEMBL30183964 0.79 TAAR1 (0.53) TAAR1IDO1AGXTAOC3MAOB
SCHEMBL2036352 0.78 BLM (0.55) TAAR1IDO1AGXTALDH1A1CYP3A4

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-7436465-B2 Electrooptical device region and manufacturing method thereof, electrooptical device and electronic equipment SEIKO EPSON CORPORATION (JP) 2008-10-14 US disclosed
US-20050162366-A1 Electrooptical device region and manufacturing method thereof, electrooptical device and electronic equipment SEIKO EPSON CORPORATION (JP) 2005-07-28 US disclosed
US-4581172-A Substituted pyrimido[6,1-a]isoquinolin-4-ones,pyrimido[6,1-a]benzozepin-4-ones and pyrimido[6,1-a]benzodiazepin-4-ones useful for prevention of thromboses and treating hypertension HOFFMANN-LA ROCHE INC. (US) 1986-04-08 US disclosed