SCHEMBL8948245

SCHEMBL8948245

C=CCNCCCc1ccc2c(c1)sc(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.52
HTR1A P08908 6/20 0.47
HTR2C P28335 4/20 0.47
MAPT P10636 1/20 0.43

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
SCHEMBL8948181 0.82 SIGMAR1 (0.51) SIGMAR1HTR1AHTR2CMAPT
SCHEMBL8948196 0.82 SIGMAR1 (0.61) SIGMAR1HTR1AHTR2C
SCHEMBL8109676 0.80 SIGMAR1 (0.59) SIGMAR1HTR1AHTR2CMAPT
SCHEMBL8948102 0.79 SIGMAR1 (0.63) SIGMAR1HTR1AHTR2C
SCHEMBL7756738 0.79 POLB (0.54) SIGMAR1HTR1AHTR2C
SCHEMBL9685601 0.79 SIGMAR1 (0.60) SIGMAR1HTR1AHTR2C
Hydrochloric Acid SCHEMBL8871359 0.79 SIGMAR1 (0.58) SIGMAR1HTR1AHTR2C
SCHEMBL8948338 0.78 HTR1A (0.54) SIGMAR1HTR1AHTR2C
SCHEMBL8948091 0.78 SIGMAR1 (0.54) SIGMAR1HTR1AHTR2C
SCHEMBL8109675 0.78 SIGMAR1 (0.56) SIGMAR1HTR1AHTR2CMAPT

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