SCHEMBL8639633

SCHEMBL8639633

O=C1CC(=O)N(c2ccccc2)c2ccccc2N1CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
GAA P10253 3/20 0.62
MAPT P10636 3/20 0.62
HSD17B10 Q99714 2/20 0.62
HTT P42858 2/20 0.62
USP2 O75604 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.50
BLM P54132 2/20 0.50
APAF1 O14727 1/20 0.50
CASP1 P29466 1/20 0.50
RAB9A P51151 1/20 0.50
CASP7 P55210 1/20 0.50
CCKBR P32239 1/20 0.49
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
PARK7 Q99497 1/20 0.47
GSK3A P49840 2/20 0.46

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
SCHEMBL11651629 0.85 KMT2A (0.76) KMT2AMEN1GAAMAPTHSD17B10
SCHEMBL7044712 0.84 HPGD (0.53) KMT2AMEN1GAAMAPTHSD17B10
SCHEMBL8635136 0.81 NPC1 (0.52) KMT2AMEN1MAPTHSD17B10HTT
SCHEMBL4422153 0.80 HPGD (0.74) KMT2AMEN1GAAMAPTHPGD
SCHEMBL8616731 0.80 CCKBR (0.51) KMT2AMEN1GAAMAPTHSD17B10
SCHEMBL8616366 0.80 CCKBR (0.51) KMT2AMEN1GAAMAPTHSD17B10
SCHEMBL9603352 0.78 CCKBR (0.49) KMT2AMEN1GAAMAPTHSD17B10
SCHEMBL5398736 0.78 HPGD (0.53) KMT2AMEN1GAAHPGDALDH1A1
SCHEMBL10158776 0.77 KMT2A (1.00) KMT2AMEN1GAAMAPTHSD17B10
SCHEMBL8638848 0.75 CCKBR (0.58) HSD17B10HPGDALDH1A1CASP7CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558104-B1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO WELLCOME SPA (IT) 1998-07-29 EP disclosed
US-5637697-A ANTAGONIST TO GASTRIN AND(OR) CHLOROCYSTOKININ GLAXO SPA (IT) 1997-06-10 US disclosed
US-5580895-A GASTROINTESTINAL OR CENTRAL NERVOUS SYSTEM DISORDERS GLAXO SPA (IT) 1996-12-03 US disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed