SCHEMBL8563163

SCHEMBL8563163

CCOC(=O)c1cc2c([nH]c1=O)CCN(Cc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
ADORA1 P30542 1/20 0.48
NPC1 O15118 1/20 0.47
TNF P01375 1/20 0.47
RAB9A P51151 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SLC6A5 Q9Y345 1/20 0.45
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
ACHE P22303 1/20 0.43
PRMT1 Q99873 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL8568090 0.89 PDE3B (0.47) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL16264683 0.86 SLC6A5 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9256480 0.86 HPGD (0.51) MEN1KMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL4793706 0.85 HPGD (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31376614 0.84 MEN1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8561824 0.82 SLC6A5 (0.47) MEN1KMT2AMAPTADORA1NPC1
SCHEMBL8567999 0.81 SLC6A5 (0.43) MEN1KMT2ALMNATNFNOD2
SCHEMBL977652 0.81 MEN1 (0.52) MEN1KMT2ALMNAMAPTADORA1
SCHEMBL8566446 0.80 SLC6A5 (0.42) MEN1KMT2ALMNAMAPTTNF
SCHEMBL16264684 0.79 SLC6A5 (0.45) MEN1KMT2ANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5424433-A Benzodiazepine receptor agonist DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 US claimed
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