SCHEMBL8567952

SCHEMBL8567952

O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(CCO)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.49
KDM1A O60341 3/20 0.46
PDE6D O43924 5/20 0.40
TACR1 P25103 1/20 0.39
HTR6 P50406 1/20 0.38
OPRL1 P41146 2/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
HTR7 P34969 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL8571012 0.87 CHRM2 (0.49) OPRL1SIGMAR1ACHE
SCHEMBL8565908 0.86 TACR1 (0.41) KDM1ATACR1OPRL1
SCHEMBL6168606 0.86 OPRL1 (0.52) OPRL1OPRM1ACHE
SCHEMBL29445321 0.86 OPRL1 (0.52) OPRL1OPRM1ACHE
SCHEMBL8564971 0.86 TACR1 (0.43) PDE6DTACR1OPRL1OPRM1
SCHEMBL8568996 0.85 KDM1A (0.49) SLC18A3KDM1APDE6DTACR1
SCHEMBL6168102 0.85 CHRM3 (0.42) TACR1OPRL1OPRM1ACHE
SCHEMBL8570205 0.84 MEN1 (0.41) KDM1APDE6DTACR1
SCHEMBL8564042 0.84 CHRM2 (0.43) KDM1ATACR1
SCHEMBL8571710 0.83 PRCP (0.42) PDE6DTACR1OPRL1SIGMAR1

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