SCHEMBL8562694

SCHEMBL8562694

O=C(O)c1cccc(CN2CCC(N3C(=O)Nc4ccccc4C3c3ccccc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.56
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
CCR5 P51681 2/20 0.47
LTA4H P09960 1/20 0.45
KMT2A Q03164 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
HRH2 P25021 2/20 0.43
OPRL1 P41146 1/20 0.43
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL8564098 0.93 OPRK1 (0.50) KDM1ACCR5KCNH2
Hydrochloric Acid SCHEMBL6166988 0.92 OPRK1 (0.49) KDM1ACCR5KCNH2
SCHEMBL8568883 0.90 KDM1A (0.47) KDM1AKMT2ASIGMAR1KCNH2MEN1
SCHEMBL8571953 0.89 KDM1A (0.44) KDM1ACCR5KMT2ASIGMAR1OPRL1
SCHEMBL6168606 0.89 OPRL1 (0.52) CYP2D6CYP2C9CCR5KMT2AOPRL1
SCHEMBL29445321 0.89 OPRL1 (0.52) CYP2D6CYP2C9CCR5KMT2AOPRL1
SCHEMBL6164748 0.88 OPRL1 (0.44) KDM1AOPRL1
SCHEMBL8571871 0.88 CHRM3 (0.54) KDM1ASIGMAR1OPRL1
SCHEMBL8564439 0.87 CHRM2 (0.55) CYP2D6CYP2C9SIGMAR1OPRL1
SCHEMBL8570520 0.86 OPRL1 (0.45) OPRL1

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