SCHEMBL29025323

SCHEMBL29025323

CC1NCCSC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.33
CHRNA7 P36544 1/20 0.33
PRCP P42785 1/20 0.33
GAA P10253 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
SCHEMBL14260844 0.74 MAP2K1 (0.43) TDP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27708050 0.74 MAPT (0.34) SLC6A2ADRA1AHTR2BSLC6A3MAPT
SCHEMBL4655299 0.72 MAPT (0.66) SLC6A2ADRA1AHTR2BSLC6A3MAPT
SCHEMBL10349649 0.68 SLC6A2 (0.53) SLC6A2ADRA1AHTR2BSLC6A3SMN1; SMN2
Hydrochloric Acid SCHEMBL10382888 0.67 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3SMN1; SMN2
SCHEMBL30368752 0.67 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3SLC18A3
SCHEMBL4202698 0.67 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3SLC18A3
SCHEMBL18019718 0.67 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3SLC18A3
SCHEMBL4202702 0.67 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3SLC18A3
SCHEMBL4202694 0.67 SLC6A2 (0.52) SLC6A2ADRA1AHTR2BSLC6A3SLC18A3

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
CN-116367864-A Controlled release filler composition and capsule containing the same R·P·谢勒技术有限公司 2023-06-30 CN disclosed