SCHEMBL9570355

SCHEMBL9570355

C[N+](C)(C)CCCn1c(=O)sc2ccc(Cl)cc21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.62
SIGMAR1 Q99720 2/20 0.58
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
CNR2 P34972 1/20 0.42
NPY5R Q15761 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Iodide SCHEMBL8869500 0.99 TMEM97 (0.60) TMEM97SIGMAR1HTR1AHTR7CNR2
SCHEMBL15295194 0.85 TMEM97 (0.66) TMEM97SIGMAR1HTR1AHTR7CNR2
SCHEMBL8870033 0.83 TMEM97 (0.67) TMEM97SIGMAR1HTR1AHTR7CNR2
SCHEMBL8870438 0.82 TMEM97 (0.66) TMEM97SIGMAR1HTR1AHTR7CNR2
SCHEMBL9570335 0.81 SIGMAR1 (0.71) TMEM97SIGMAR1HTR1AHTR7CNR2
SCHEMBL15292530 0.81 TMEM97 (0.62) TMEM97SIGMAR1HTR1AHTR7CNR2
Hydrochloric Acid SCHEMBL8869860 0.80 SIGMAR1 (0.69) TMEM97SIGMAR1HTR1AHTR7NPY5R
SCHEMBL15283315 0.80 TMEM97 (0.63) TMEM97SIGMAR1HTR1AHTR7CNR2
SCHEMBL30214703 0.78 TMEM97 (0.60) TMEM97SIGMAR1NPY5RDRD2DRD4
SCHEMBL16932349 0.78 TMEM97 (0.60) TMEM97SIGMAR1NPY5RDRD2DRD4

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
EP-0572308-A2 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-12-01 EP disclosed