SCHEMBL8568883

SCHEMBL8568883

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OPRM1 P35372 3/20 0.45
OPRK1 P41145 2/20 0.45
OPRD1 P41143 1/20 0.45
CCR8 P51685 1/20 0.45
GSK3B P49841 1/20 0.44
MCHR1 Q99705 1/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
CHRM4 P08173 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
ABCB1 P08183 1/20 0.42
HTR1A P08908 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
SCHEMBL8571953 0.90 KDM1A (0.44) KDM1AKMT2AALDH1A1SMN1; SMN2OPRK1
SCHEMBL8562694 0.90 KDM1A (0.56) KDM1AKMT2AMEN1SIGMAR1KCNH2
SCHEMBL8564098 0.88 OPRK1 (0.50) KDM1AOPRM1OPRK1OPRD1KCNH2
Hydrochloric Acid SCHEMBL6166988 0.88 OPRK1 (0.49) KDM1AOPRM1OPRK1OPRD1KCNH2
SCHEMBL8570520 0.86 OPRL1 (0.45) OPRM1CHRM2DRD3
SCHEMBL6166931 0.85 CHRM3 (0.43) KMT2AMEN1OPRM1CCR8CHRM2
SCHEMBL8565700 0.85 CHRM3 (0.56) KMT2AALDH1A1OPRM1CCR8KDM4E
SCHEMBL29445321 0.85 OPRL1 (0.52) KMT2AMEN1OPRM1OPRK1CHRM2
SCHEMBL6168606 0.85 OPRL1 (0.52) KMT2AMEN1OPRM1OPRK1CHRM2
SCHEMBL6164748 0.84 OPRL1 (0.44) KDM1AOPRM1OPRK1CHRM2CHRM1

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