SCHEMBL8616366

SCHEMBL8616366

CC(C)(C)CCN1C(=O)CC(=O)N(c2ccccc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.51
HPGD P15428 1/20 0.49
OPRK1 P41145 1/20 0.45
PDE4D Q08499 1/20 0.45
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 3/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.37
TLR9 Q9NR96 1/20 0.37
LOX P28300 1/20 0.35

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
SCHEMBL9603352 0.97 CCKBR (0.49) CCKBRHPGDOPRK1PDE4DHTR7
SCHEMBL7044712 0.84 HPGD (0.53) CCKBRHPGDOPRK1PDE4DHTR7
SCHEMBL8635136 0.82 NPC1 (0.52) CCKBRHPGDOPRK1PDE4DHTR7
SCHEMBL8616731 0.81 CCKBR (0.51) CCKBRHPGDOPRK1PDE4DHTR7
SCHEMBL8639633 0.80 KMT2A (0.62) CCKBRHPGDOPRK1PDE4DHTR7
SCHEMBL4422153 0.78 HPGD (0.74) HPGDOPRK1PDE4DMEN1KMT2A
SCHEMBL8543405 0.76 CCKBR (0.60) CCKBR
SCHEMBL30087538 0.76 OPRK1 (0.70) CCKBRHPGDOPRK1PDE4DMEN1
SCHEMBL11559256 0.76 OPRK1 (0.70) CCKBRHPGDOPRK1PDE4DMEN1
SCHEMBL5398736 0.75 HPGD (0.53) CCKBRHPGDOPRK1PDE4DMEN1

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 8 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
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 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
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed
EP-0623118-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO S.p.A. (IT) 1994-11-09 EP disclosed
EP-0558104-A1 1,5-Benzodiazepine derivatives and their use in medicine GLAXO S.p.A. (IT) 1993-09-01 EP disclosed
WO-1993014075-A1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO SPA (IT) 1993-07-22 WO disclosed