SCHEMBL8565402

SCHEMBL8565402

O=C1Nc2ncccc2C(c2ccccc2)N1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 3/20 0.40
TNKS2 Q9H2K2 4/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TNKS O95271 9/20 0.36
NSD3 Q9BZ95 1/20 0.34
HTR6 P50406 1/20 0.33

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
SCHEMBL5103372 0.82 SLC18A3 (0.40) SLC6A2SLC6A4SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL8571208 0.81 KDM1A (0.40) SLC6A2SLC6A4SLC18A3SIGMAR1
SCHEMBL8562015 0.78 TNKS (0.36) TNKS2SLC18A3SIGMAR1TNKSNSD3
SCHEMBL8568450 0.74 KDM1A (0.38) SLC6A2SLC6A4SLC6A3SLC18A3SIGMAR1
SCHEMBL6167647 0.73 SLC6A2 (0.38) SLC6A2SLC6A3TNKS2HTR6
SCHEMBL1198050 0.69 MAPK1 (0.44)
SCHEMBL8570694 0.69 PARP1 (0.49) SIGMAR1
SCHEMBL2606251 0.68 GSK3B (0.40) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6168112 0.68 HTR2C (0.50)
Hydrochloric Acid SCHEMBL2322170 0.68 MAPK1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 US disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 EP disclosed