SCHEMBL8568090

SCHEMBL8568090

CCOC(=O)c1cc2c([nH]c1=O)CCN(Cc1cccc(F)c1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
CLPP Q16740 1/20 0.42
LMNA P02545 4/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8563163 0.89 MEN1 (0.48) PDE3BPDE3AKMT2AMEN1LMNA
SCHEMBL16264683 0.75 SLC6A5 (0.49) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL9256480 0.75 HPGD (0.51) KMT2AMEN1ALDH1A1L3MBTL1NPC1
Hydrochloric Acid SCHEMBL4793706 0.74 HPGD (0.50) KMT2AMEN1ALDH1A1L3MBTL1NPC1
SCHEMBL31376614 0.73 MEN1 (0.50) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL2078909 0.73 MAPT (0.54) KMT2AMEN1LMNAGLAALDH1A1
SCHEMBL8561824 0.72 SLC6A5 (0.47) KMT2AMEN1CLPPALDH1A1MAPT
SCHEMBL8567999 0.71 SLC6A5 (0.43) KMT2AMEN1LMNAL3MBTL1TNF
SCHEMBL8566446 0.70 SLC6A5 (0.42) KMT2AMEN1LMNAMAPTTNF
SCHEMBL977652 0.70 MEN1 (0.52) KMT2AMEN1LMNAMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588500-B1 3-Oxadiazolyl-1,6-naphthyridine derivatives with affinity for benzodiazepine receptors DAINIPPON PHARMACEUTICAL CO (JP) 1998-11-04 EP disclosed
US-5424433-A Benzodiazepine receptor agonist DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
US-5424434-A Intramolecular cyclodehydration with a phosphorus(III) compound and a dialkyl azodicarboxylate in presence of a base to form a benzodiazepine receptor agonist, anxiolytic agent DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US disclosed
US-5367078-A Benzodiazine receptor agonists DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1994-11-22 US disclosed
EP-0588500-A2 3-Oxadiazolyl-1,6-naphthyridine derivatives with affinity for benzodiazepine receptors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed