SCHEMBL11118093

SCHEMBL11118093

CCOC(=O)C(Br)C1CCc2ccccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MTNR1A P48039 2/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RIPK1 Q13546 4/20 0.40
BRD4 O60885 1/20 0.39
PYGL P06737 2/20 0.39
PYGM P11217 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL7543362 0.86 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1KDM4EMTNR1A
SCHEMBL7564705 0.78 IDO1 (0.46) ALDH1A1MAPTL3MBTL1
SCHEMBL29958724 0.76 PYGL (0.40) MTNR1ARIPK1PYGLPYGM
SCHEMBL2216388 0.75 NPC1 (0.47) ALDH1A1MAPTKDM4ERIPK1BRD4
SCHEMBL4656258 0.72 ACE (0.62) KDM4ERIPK1
SCHEMBL7756853 0.72 ACE (0.62) KDM4ERIPK1
SCHEMBL4655446 0.72 ACE (0.62) KDM4ERIPK1
SCHEMBL7760802 0.72 ACE (0.62) KDM4ERIPK1
SCHEMBL7760836 0.72 ACE (0.62) KDM4ERIPK1
SCHEMBL10907547 0.72 ACE (0.62) KDM4ERIPK1

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 1 patent. 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