SCHEMBL8948181

SCHEMBL8948181

Cc1ccc(CNCCCc2ccc3c(c2)sc(=O)n3C)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.51
HTR1A P08908 5/20 0.47
HTR2C P28335 4/20 0.47
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
CHRM2 P08172 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
SCHEMBL8948196 0.91 SIGMAR1 (0.61) SIGMAR1HTR1AHTR2C
SCHEMBL7756738 0.87 POLB (0.54) SIGMAR1HTR1AHTR2CTP53CHRM2
SCHEMBL8948338 0.86 HTR1A (0.54) SIGMAR1HTR1AHTR2C
SCHEMBL8948102 0.85 SIGMAR1 (0.63) SIGMAR1HTR1AHTR2C
SCHEMBL8948245 0.82 SIGMAR1 (0.52) SIGMAR1HTR1AHTR2CMAPT
SCHEMBL8109676 0.79 SIGMAR1 (0.59) SIGMAR1HTR1AHTR2CMAPT
SCHEMBL9685601 0.78 SIGMAR1 (0.60) SIGMAR1HTR1AHTR2C
Hydrochloric Acid SCHEMBL8871359 0.78 SIGMAR1 (0.58) SIGMAR1HTR1AHTR2C
SCHEMBL7760487 0.77 SIGMAR1 (0.61) SIGMAR1HTR1AHTR2C
SCHEMBL8109675 0.77 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