SCHEMBL9686018

SCHEMBL9686018

Cn1c(=O)sc2cc(Cc3ccc(Cl)cc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.55
HTR1A P08908 4/20 0.48
HTR2C P28335 3/20 0.48
MAPT P10636 1/20 0.46
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL9686129 0.87 SIGMAR1 (0.63) SIGMAR1HTR1AHTR2CMAPTACHE
SCHEMBL4614580 0.82 SIGMAR1 (0.53) SIGMAR1HTR1AHTR2CMAPTACHE
SCHEMBL7766393 0.81 SIGMAR1 (0.56) SIGMAR1HTR1AHTR2CMAPTACHE
SCHEMBL9684012 0.80 MAPT (0.61) SIGMAR1HTR1AHTR2CMAPT
SCHEMBL9027509 0.78 SIGMAR1 (0.54) SIGMAR1HTR1AHTR2CMAPT
SCHEMBL7765471 0.78 SIGMAR1 (0.54) SIGMAR1HTR1AHTR2CMAPTACHE
SCHEMBL7762759 0.78 HTR1A (0.65) SIGMAR1HTR1AHTR2CMAPTDRD2
SCHEMBL9685737 0.77 SIGMAR1 (0.64) 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-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed