SCHEMBL6181741

SCHEMBL6181741

COC1CCc2ccccc2C1=NO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 2/20 0.38
CYP19A1 P11511 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 2/20 0.33
HRH4 Q9H3N8 2/20 0.33

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
SCHEMBL5263075 0.83 HRH1 (0.39) HPGDL3MBTL1ALDH1A1TSHRLMNA
SCHEMBL5263072 0.83 HRH1 (0.39) HPGDL3MBTL1ALDH1A1TSHRLMNA
SCHEMBL11244575 0.83 HPGD (0.38) HPGDL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL10041963 0.78 HPGD (0.49) HPGDL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL3370114 0.78 HPGD (0.49) HPGDL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL3370115 0.78 HPGD (0.49) HPGDL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL30363500 0.78 HPGD (0.49) HPGDL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL6328560 0.75 HPGD (0.44) HPGDL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL6328564 0.75 HPGD (0.44) HPGDL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL8736255 0.75 HPGD (0.44) HPGDL3MBTL1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392317-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-10-19 EP disclosed
EP-1392317-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2004-03-03 EP disclosed
WO-2002100327-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2002-12-19 WO disclosed
EP-0179667-B1 N6-SUBSTITUTED ADENOSINES WARNER-LAMBERT COMPANY (US) 1989-12-27 EP disclosed