SCHEMBL8109023

SCHEMBL8109023

Cn1c(=O)oc2cc(CCBr)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
PKM P14618 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR1A P08908 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE10A Q9Y233 2/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44

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 0.91 HTR1A (0.51) ALDH1A1PKML3MBTL1HTR1AKDM4E
SCHEMBL8109737 0.90 HTR1A (0.53) ALDH1A1PKML3MBTL1HTR1AKDM4E
SCHEMBL1161574 0.87 PKM (0.49) ALDH1A1PKML3MBTL1HTR1AKDM4E
SCHEMBL9437718 0.84 ALDH1A1 (0.50) ALDH1A1PKML3MBTL1HTR1AKDM4E
SCHEMBL5658301 0.84 PKM (0.50) ALDH1A1PKML3MBTL1HTR1AKDM4E
SCHEMBL9437764 0.83 ALDH1A1 (0.55) ALDH1A1PKML3MBTL1HTR1AKDM4E
Hydrochloric Acid SCHEMBL10981754 0.83 ALDH1A1 (0.49) ALDH1A1PKML3MBTL1HTR1AKDM4E
SCHEMBL10081599 0.82 PKM (0.57) ALDH1A1PKML3MBTL1KDM4EHPGD
SCHEMBL9464160 0.82 KDM4E (0.51) ALDH1A1PKML3MBTL1HTR1AKDM4E
Hydrochloric Acid SCHEMBL10992879 0.82 ALDH1A1 (0.54) ALDH1A1PKML3MBTL1HTR1AKDM4E

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 6 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
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-4558060-A HYPNOTIC PROPERTIES; ANTI-HEART FAILURE MEDICINE RIOM LABORATORIES - CERM S.A. (FR) 1985-12-10 US disclosed