SCHEMBL8114155

SCHEMBL8114155

Cn1c(=O)sc2cc(CCN3C(=O)c4ccccc4C3=O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.60
HTR1A P08908 7/20 0.59
HTR2C P28335 5/20 0.59
CASP3 P42574 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL8116685 0.91 SIGMAR1 (0.62) SIGMAR1HTR1AHTR2C
SCHEMBL9556394 0.90 SIGMAR1 (0.61) SIGMAR1HTR1AHTR2C
SCHEMBL9437751 0.88 SIGMAR1 (0.51) SIGMAR1HTR1AHTR2C
SCHEMBL9437827 0.86 SIGMAR1 (0.49) SIGMAR1HTR1AHTR2C
SCHEMBL9437780 0.85 SIGMAR1 (0.53) SIGMAR1HTR1AHTR2C
SCHEMBL9437711 0.85 SIGMAR1 (0.53) SIGMAR1HTR1AHTR2C
SCHEMBL9437912 0.85 SIGMAR1 (0.56) SIGMAR1HTR1AHTR2C
SCHEMBL9437702 0.85 SIGMAR1 (0.51) SIGMAR1HTR1AHTR2C
SCHEMBL9437923 0.84 SIGMAR1 (0.47) SIGMAR1HTR1AHTR2C
SCHEMBL9437813 0.83 MAOB (0.47) SIGMAR1HTR1AHTR2C

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 7 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
CN-1055924-C Novel aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and the pharmaceutical compositions which contain them ADIR (FR) 2000-08-30 CN 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