SCHEMBL7823176

SCHEMBL7823176

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(O)c1cc(OCc2ccc(OC)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
SLC5A1 P13866 4/20 0.41
SLC5A2 P31639 4/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MITF O75030 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
CYP19A1 P11511 2/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL7825905 0.93 SLC5A1 (0.41) SLC5A1SLC5A2POLBRXFP1MEN1
SCHEMBL7831857 0.91 SLC5A1 (0.43) SLC5A1SLC5A2POLBRXFP1MEN1
SCHEMBL7827659 0.88 SLC5A1 (0.43) SLC5A1SLC5A2POLBRXFP1MEN1
SCHEMBL5515342 0.88 SLC5A1 (0.45) SLC5A1SLC5A2POLBRXFP1MEN1
SCHEMBL7815445 0.88 SLC5A1 (0.50) SLC5A1SLC5A2POLBRXFP1MEN1
SCHEMBL7824948 0.87 MAOB (0.43) MAOBPOLBRXFP1MEN1KMT2A
SCHEMBL7816052 0.86 SLC5A1 (0.41) SLC5A1SLC5A2POLBRXFP1MEN1
SCHEMBL7828627 0.86 SLC5A1 (0.44) SLC5A1SLC5A2POLBRXFP1MEN1
SCHEMBL7826196 0.86 SLC5A1 (0.43) SLC5A1SLC5A2POLBRXFP1MEN1
SCHEMBL8071924 0.85 CYP19A1 (0.48) SLC5A1SLC5A2POLBRXFP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed