SCHEMBL8948259

SCHEMBL8948259

Cn1c(=O)sc2cc(CCCN3CCCCC3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.68
TMEM97 Q5BJF2 1/20 0.67
ADRA2A P08913 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
HRH1 P35367 1/20 0.67
HTR1A P08908 1/20 0.64
HTR2C P28335 1/20 0.64

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
SCHEMBL8948162 0.99 SIGMAR1 (0.69) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL7759827 0.89 SIGMAR1 (0.67) SIGMAR1HTR1AHTR2C
SCHEMBL8948345 0.89 SIGMAR1 (0.67) SIGMAR1HTR1AHTR2C
SCHEMBL8100560 0.86 SIGMAR1 (0.59) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL8869677 0.86 SIGMAR1 (0.59) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL9449985 0.85 SIGMAR1 (0.72) SIGMAR1HTR1AHTR2C
SCHEMBL8109911 0.85 SIGMAR1 (0.60) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL8870613 0.84 SIGMAR1 (0.60) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL8116414 0.84 SIGMAR1 (0.60) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9449447 0.84 SIGMAR1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5512569-A SIGMA RECEPTOR DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed