SCHEMBL4746902

SCHEMBL4746902

O=S(=O)(NN1CCCCC1)c1ccc2c(c1)N=Cc1c(cccc1-c1ccc(Cl)cc1)S2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.37
CNR1 P21554 9/20 0.35
CNR2 P34972 3/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL4668903 0.82 CNR1 (0.54) CNR1CNR2
SCHEMBL4746911 0.81 CNR1 (0.48) PHGDHCNR1CNR2MEN1APAF1
SCHEMBL4748158 0.68 PTGDR2 (0.34) CNR1HRH4
SCHEMBL4855914 0.67 GPR119 (0.33) CNR1
SCHEMBL5576871 0.66 CNR1 (0.69) CNR1CNR2ALDH1A1GAAMAPT
SCHEMBL4671450 0.64 LMNA (0.47) CNR1ALDH1A1MAPTHTT
SCHEMBL5057268 0.63 CNR1 (0.66) CNR1CNR2MEN1KMT2A
SCHEMBL14205956 0.63 CNR1 (0.66) CNR1CNR2MEN1KMT2A
SCHEMBL4669165 0.62 MEN1 (0.51) MEN1ALDH1A1MAPTKMT2AHTR2C
SCHEMBL14043684 0.62 CNR1 (0.65) CNR1CNR2MEN1MAPTKMT2A

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
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed