SCHEMBL28359596

SCHEMBL28359596

c1ccc2sc(C3CC3)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.61
DRD2 P14416 1/20 0.61
ALOX5 P09917 1/20 0.54
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 1/20 0.46
AGXT P21549 1/20 0.44
CYP2A6 P11509 3/20 0.44
ASIC3 Q9UHC3 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
BCL2L1 Q07817 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
TMIGD3 P0DMS9 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL31172103 1.00 SLC6A4 (0.61) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL4670974 0.87 SLC6A4 (0.54) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL2708963 0.87 SLC6A4 (0.54) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL4147085 0.85 SLC6A4 (0.52) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL11875197 0.84 SLC6A4 (0.71) SLC6A4DRD2ALOX5CHRM2CHRM4
Hydrochloric Acid SCHEMBL8006651 0.82 SLC6A4 (0.50) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL31412580 0.82 SLC6A4 (0.50) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL7462997 0.82 ALOX5 (0.51) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL7462994 0.82 ALOX5 (0.51) SLC6A4DRD2ALOX5CHRM2CHRM4
Hydrochloric Acid SCHEMBL11877675 0.82 SLC6A4 (0.69) SLC6A4DRD2ALOX5CHRM2CHRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110791775-B Method for continuously preparing 2-aryl-benzothiophene/furan compounds by using electrochemical microchannel reaction device 南京工业大学 2021-02-05 CN disclosed
CN-110483475-B Method for preparing benzothiophene compound by silver oxide catalysis method 绍兴文理学院 2020-11-27 CN disclosed
CN-110791775-A Method for continuously preparing 2-aryl-benzothiophene/furan compounds by using electrochemical microchannel reaction device 南京工业大学 2020-02-14 CN disclosed