SCHEMBL7543352

SCHEMBL7543352

CC(N)OC(=O)CC1CCc2ccccc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.38
PYGM P11217 2/20 0.38
POLB P06746 1/20 0.38
RIPK1 Q13546 4/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MTNR1A P48039 2/20 0.36
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
PTK2B Q14289 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL11118089 0.88 PYGL (0.38) PYGLPYGMPOLBRIPK1HSD17B10
SCHEMBL7564692 0.81 IDO1 (0.46) DDB1CRBNIDO1
SCHEMBL4335722 0.79 GLA (0.47) PYGLPYGMRIPK1HSD17B10DDB1
SCHEMBL14614572 0.77 NPC1 (0.47) PYGLPYGMDDB1CRBNMTNR1A
SCHEMBL25556417 0.77 NPC1 (0.47) PYGLPYGMDDB1CRBNMTNR1A
SCHEMBL4332417 0.75 DDB1 (0.48) PYGLPYGMRIPK1HSD17B10HTT
SCHEMBL7691772 0.74 NPC1 (0.47) PYGLPYGMRIPK1HTTDDB1
SCHEMBL4334134 0.74 HSD17B10 (0.53) PYGLPYGMHSD17B10HTTMTNR1A
SCHEMBL8304087 0.72 HSD17B10 (0.55) HSD17B10HTTTSHRKDM4EALDH1A1
SCHEMBL3457244 0.72 NPC1 (0.45) PYGLPYGMRIPK1DDB1CRBN

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-0119955-A2 3-(5-Aminopentyl)-amino-1-benzazepin-2-one-1-alcanoic acids, process for their preparation, their pharmaceutical preparation as well as their therapeutic use CIBA-GEIGY AG (CH) 1984-09-26 EP disclosed
EP-0119954-A2 3-Amino-1-benzazepin-2-one-1-alcanoic acids, process for their preparation, their pharmaceutical preparation as well as their therapeutic use CIBA-GEIGY AG (CH) 1984-09-26 EP disclosed
EP-0072352-A1 Benzazepin-2-ones, process for their preparation, pharmaceutical preparations containing these compounds and the compounds for therapeutical use CIBA-GEIGY AG (CH) 1983-02-16 EP disclosed