SCHEMBL19287839

SCHEMBL19287839

CC(C)c1ccccc1S(=O)(=O)N(C)CCN1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.54
▸ OPRM1 P35372 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ HRH3 Q9Y5N1 7/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL15830503 0.83 SIGMAR1 (0.58) SIGMAR1OPRM1OPRK1HRH3HTR2A
SCHEMBL17308349 0.82 SIGMAR1 (0.56) SIGMAR1OPRM1OPRK1HRH3DRD2
SCHEMBL17300861 0.81 SIGMAR1 (0.55) SIGMAR1OPRM1OPRK1HRH3HTR1A
SCHEMBL21566643 0.78 POLB (0.41) L3MBTL1
SCHEMBL5149238 0.76 SIGMAR1 (0.72) SIGMAR1HRH3PSEN1PSEN2APH1B
SCHEMBL14445631 0.75 SIGMAR1 (0.69) SIGMAR1HTR2ACXCR4ALDH1A1
SCHEMBL799370 0.74 POLB (0.42) L3MBTL1ALDH1A1
SCHEMBL8556599 0.74 HTR7 (0.51) SIGMAR1HRH3HTR2AHTR7
SCHEMBL6338588 0.73 SIGMAR1 (0.62) SIGMAR1L3MBTL1HTR1AHTR2AHTR7
SCHEMBL17306795 0.72 HTR2A (0.41) HTR1ADRD2HTR2AHTR7

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-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 — — US disclosed
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