SCHEMBL8568450

SCHEMBL8568450

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
TACR1 P25103 2/20 0.38
ATM Q13315 1/20 0.35
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR6 P50406 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CISD1 Q9NZ45 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34

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 0.92 SLC18A3 (0.40) KDM1AMAOBTACR1ATMSLC18A3
Hydrochloric Acid SCHEMBL8571208 0.91 KDM1A (0.40) KDM1AMAOBTACR1ATMSLC18A3
SCHEMBL6167647 0.83 SLC6A2 (0.38) ATMSLC6A3HTR6MEN1KMT2A
SCHEMBL8564042 0.79 CHRM2 (0.43) KDM1AMAOBTACR1ATMMEN1
SCHEMBL8562015 0.78 TNKS (0.36) KDM1AATMSLC18A3SIGMAR1MEN1
SCHEMBL6168112 0.77 HTR2C (0.50) MEN1KMT2AALDH1A1
SCHEMBL6168606 0.76 OPRL1 (0.52) MEN1KMT2A
SCHEMBL8564971 0.76 TACR1 (0.43) TACR1MEN1KMT2AALDH1A1
SCHEMBL29445321 0.76 OPRL1 (0.52) MEN1KMT2A
SCHEMBL8566631 0.76 OPRM1 (0.49) SLC18A3ALDH1A1

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