SCHEMBL8560032

SCHEMBL8560032

O=c1[nH]c2c(cc1C=NO)CN(Cc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.47
ACHE P22303 9/20 0.43
AKR1B1 P15121 1/20 0.43
KDR P35968 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRA2 P47869 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
SCHEMBL8566026 0.86 SLC6A5 (0.54) SLC6A5ACHEAKR1B1KDRMEN1
SCHEMBL16264684 0.82 SLC6A5 (0.45) SLC6A5ACHEAKR1B1KDRMEN1
SCHEMBL17984953 0.80 SLC6A5 (0.54) SLC6A5ACHEAKR1B1KDRMEN1
SCHEMBL16264682 0.80 SLC6A5 (0.54) SLC6A5ACHEAKR1B1KDRMEN1
SCHEMBL9256480 0.79 HPGD (0.51) SLC6A5ACHEAKR1B1KDRMEN1
SCHEMBL8562303 0.79 SLC6A5 (0.51) SLC6A5ACHEAKR1B1KDRMEN1
Hydrochloric Acid SCHEMBL4793706 0.78 HPGD (0.50) SLC6A5ACHEAKR1B1KDRMEN1
SCHEMBL31376614 0.77 MEN1 (0.50) SLC6A5ACHEAKR1B1KDRMEN1
SCHEMBL16264683 0.77 SLC6A5 (0.49) SLC6A5ACHEAKR1B1KDRMEN1
SCHEMBL8564321 0.76 SLC6A5 (0.53) SLC6A5ACHEAKR1B1KMT2AGABRA1

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