SCHEMBL29129809

SCHEMBL29129809

NCC(Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.58
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
TAAR1 Q96RJ0 1/20 0.48
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 3/20 0.42
IDO1 P14902 4/20 0.41
AGXT P21549 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB2 P17787 1/20 0.41
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL6449520 0.79 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6
SCHEMBL3441646 0.77 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6
SCHEMBL11564867 0.77 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3TAAR1IDO1
SCHEMBL9921946 0.77 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6
SCHEMBL6681314 0.77 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3TAAR1IDO1
SCHEMBL1077215 0.76 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3TAAR1MAOB
SCHEMBL1047496 0.76 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3TAAR1MAOB
Hydrochloric Acid SCHEMBL4291743 0.76 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6
Hydrochloric Acid SCHEMBL4291748 0.76 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6
SCHEMBL232629 0.76 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3TAAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117442609-A Application of tetrahydrocarbazole derivative in preventing and treating cow mastitis pathogenic bacteria 兰州大学 2024-01-26 CN claimed
CN-117281120-A Application of tetrahydrocarbazole derivative in preventing and controlling agricultural bacterial diseases 兰州大学 2023-12-26 CN claimed
CN-117442609-A Application of tetrahydrocarbazole derivative in preventing and treating cow mastitis pathogenic bacteria 兰州大学 2024-01-26 CN disclosed
CN-117281120-A Application of tetrahydrocarbazole derivative in preventing and controlling agricultural bacterial diseases 兰州大学 2023-12-26 CN disclosed