SCHEMBL8100560

SCHEMBL8100560

CN(CCCCc1ccc2c(c1)sc(=O)n2C)CCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.59
TMEM97 Q5BJF2 1/20 0.58
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
HRH1 P35367 1/20 0.57

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
SCHEMBL8869677 1.00 SIGMAR1 (0.59) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL8109911 0.99 SIGMAR1 (0.60) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL8116414 0.92 SIGMAR1 (0.60) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL8870613 0.92 SIGMAR1 (0.60) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL8116630 0.91 SIGMAR1 (0.58) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL8948259 0.86 SIGMAR1 (0.68) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL8109892 0.85 SIGMAR1 (0.55) SIGMAR1TMEM97
SCHEMBL8948162 0.85 SIGMAR1 (0.69) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8871344 0.84 SIGMAR1 (0.54) SIGMAR1TMEM97
SCHEMBL9437770 0.83 SIGMAR1 (0.54) SIGMAR1TMEM97

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 5 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