SCHEMBL8109737

SCHEMBL8109737

Cn1c(=O)oc2cc(CCCCBr)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.53
ALDH1A1 P00352 3/20 0.47
PKM P14618 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
PDE10A Q9Y233 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 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
SCHEMBL10393719 0.96 HTR1A (0.51) HTR1AALDH1A1PKML3MBTL1HPGD
SCHEMBL8109023 0.90 ALDH1A1 (0.50) HTR1AALDH1A1PKML3MBTL1HPGD
SCHEMBL9437869 0.86 HTR1A (0.53) HTR1AALDH1A1PKML3MBTL1HPGD
SCHEMBL9464160 0.84 KDM4E (0.51) HTR1AALDH1A1PKML3MBTL1HPGD
SCHEMBL1161574 0.83 PKM (0.49) HTR1AALDH1A1PKML3MBTL1HPGD
SCHEMBL9464274 0.82 TSHR (0.50) HTR1AALDH1A1PKML3MBTL1HPGD
SCHEMBL9463980 0.82 HTR1A (0.49) HTR1AALDH1A1PKML3MBTL1PDE10A
SCHEMBL9437718 0.81 ALDH1A1 (0.50) HTR1AALDH1A1PKML3MBTL1HPGD
SCHEMBL5658301 0.81 PKM (0.50) HTR1AALDH1A1PKML3MBTL1HPGD
SCHEMBL9464205 0.80 HTR1A (0.61) HTR1APKMSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673933-B1 Aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and compositions containing them ADIR (FR) 2000-11-08 EP disclosed
US-5688820-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1997-11-18 US disclosed
US-5688811-A PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-11-18 US disclosed
US-5534511-A AFFINITY FOR SIGMA RECEPTORS, ANTIINFLAMMATORY, TREATMENT OF ARTHRITIS ADIR ET COMPAGNIE (FR) 1996-07-09 US disclosed
CN-1112114-A Novel aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and the pharmaceutical compositions which contain them ADIR (FR) 1995-11-22 CN disclosed
EP-0673933-A1 Aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed
US-5296477-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed
US-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 US disclosed