SCHEMBL9686129

SCHEMBL9686129

Cn1c(=O)sc2cc(Cc3ccccc3)ccc21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.63
HTR1A P08908 6/20 0.58
HTR2C P28335 5/20 0.58
ACHE P22303 1/20 0.51
MAPT P10636 1/20 0.47

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
SCHEMBL9686018 0.87 SIGMAR1 (0.55) SIGMAR1HTR1AHTR2CACHEMAPT
SCHEMBL9684012 0.81 MAPT (0.61) SIGMAR1HTR1AHTR2CMAPT
SCHEMBL9686040 0.80 SIGMAR1 (0.49) SIGMAR1HTR1AHTR2CMAPT
SCHEMBL7766393 0.80 SIGMAR1 (0.56) SIGMAR1HTR1AHTR2CACHEMAPT
SCHEMBL9027509 0.80 SIGMAR1 (0.54) SIGMAR1HTR1AHTR2CMAPT
SCHEMBL7765471 0.80 SIGMAR1 (0.54) SIGMAR1HTR1AHTR2CACHEMAPT
SCHEMBL9437739 0.79 SIGMAR1 (0.60) SIGMAR1HTR1AHTR2C
SCHEMBL9685737 0.78 SIGMAR1 (0.64) SIGMAR1HTR1AHTR2C
SCHEMBL7759816 0.78 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2CACHE
SCHEMBL12124427 0.78 SIGMAR1 (0.69) SIGMAR1

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