SCHEMBL4850673

SCHEMBL4850673

COC(CNC(=O)Cc1ccccc1[N+](=O)[O-])OC

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.63
POLB P06746 1/20 0.63
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
PTPN1 P18031 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
LMNA P02545 1/20 0.56
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 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
SCHEMBL8566719 0.80 NPC1 (0.72) CYP2C19POLBNPC1RAB9AMEN1
SCHEMBL4845542 0.78 ALDH1A1 (0.44) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL29097833 0.78 TAAR1 (0.60) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL5767226 0.78 MEN1 (0.43) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL31381443 0.77 MEN1 (0.67) CYP2C19POLBNPC1RAB9AMEN1
SCHEMBL908565 0.77 MEN1 (0.58) CYP2C19POLBNPC1RAB9AMEN1
SCHEMBL7647604 0.77 MEN1 (0.67) CYP2C19POLBNPC1RAB9AMEN1
SCHEMBL29923859 0.77 MEN1 (0.58) CYP2C19POLBNPC1RAB9AMEN1
SCHEMBL6961760 0.76 NPC1 (0.80) CYP2C19POLBNPC1RAB9AMEN1
SCHEMBL14278971 0.76 CYP2C19 (0.71) CYP2C19POLBNPC1RAB9AMEN1

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
US-7323458-B1 Dihydrobenzodiazepins and their use for treating dyslipidemia MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-01-29 US disclosed
EP-1189890-B1 DIHYDROBENZODIAZEPINS AND THEIR USE FOR TREATING DYSLIPIDEMIA MERCK PATENT GMBH (DE) 2006-04-19 EP disclosed
EP-1189890-A1 DIHYDROBENZODIAZEPINS AND THEIR USE FOR TREATING DYSLIPIDEMIA MERCK PATENT GmbH (DE) 2002-03-27 EP disclosed
WO-2001002373-A1 DIHYDROBENZODIAZEPINS AND THEIR USE FOR TREATING DYSLIPIDEMIA MERCK PATENT GMBH (DE) 2001-01-11 WO disclosed