SCHEMBL9570335

SCHEMBL9570335

CN(C)CCCn1c(=O)sc2ccc(Cl)cc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.71
▸ TMEM97 Q5BJF2 3/20 0.62
▸ MPO P05164 3/20 0.47
▸ XDH P47989 3/20 0.47
▸ HTR1A P08908 3/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ ACHE P22303 1/20 0.43
▸ NPY5R Q15761 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ SLC22A1 O15245 1/20 0.41
▸ GRIN2D O15399 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ KCNK2 O95069 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ PRNP P04156 1/20 0.41

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
Hydrochloric Acid SCHEMBL8869860 0.99 SIGMAR1 (0.69) SIGMAR1TMEM97MPOXDHHTR1A
SCHEMBL10802670 0.92 SIGMAR1 (0.63) SIGMAR1TMEM97HTR1AHTR7NPY5R
SCHEMBL15295194 0.85 TMEM97 (0.66) SIGMAR1TMEM97HTR1AHTR7NPY5R
SCHEMBL8870033 0.83 TMEM97 (0.67) SIGMAR1TMEM97HTR1AHTR7CNR2
SCHEMBL11204469 0.83 SIGMAR1 (0.52) SIGMAR1TMEM97MPOXDHHTR1A
SCHEMBL8870438 0.82 TMEM97 (0.66) SIGMAR1TMEM97HTR1AHTR7CNR2
SCHEMBL15292530 0.81 TMEM97 (0.62) SIGMAR1TMEM97HTR1AHTR7NPY5R
SCHEMBL9570355 0.81 TMEM97 (0.62) SIGMAR1TMEM97HTR1AHTR7NPY5R
SCHEMBL7282589 0.81 SIGMAR1 (0.58) SIGMAR1TMEM97TP53ADRA2AMAPT
SCHEMBL8902235 0.81 NPY5R (0.56) SIGMAR1TMEM97NPY5R

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
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