SCHEMBL28030129

SCHEMBL28030129

CC[C@H](c1cc(F)ccc1S(=O)(=O)Cl)[C@@H]1CCNC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.37
SLC6A4 P31645 13/20 0.37
SLC6A3 Q01959 11/20 0.37
CYP2D6 P10635 1/20 0.37
HTR6 P50406 7/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL13739070 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6HTR6
SCHEMBL13741151 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6HTR6
SCHEMBL28030137 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6HTR6
SCHEMBL13739069 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6HTR6
SCHEMBL13741149 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6HTR6
SCHEMBL13739068 1.00 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6HTR6
SCHEMBL13739858 0.93 HTR6 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6HTR6
SCHEMBL13738196 0.93 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28822095 0.80 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL15668028 0.76 SLC6A4 (0.35) SLC6A2SLC6A4SLC6A3CYP2D6HTR6

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-104918615-B The method for treating hepatopathy 扎夫根股份有限公司 2018-10-12 CN disclosed
CN-103764641-B The tricyclic compound of fractional saturation and preparation and application thereof 扎夫根股份有限公司 2016-10-26 CN disclosed
CN-104918615-A Methods of treating liver diseases ZAFGEN INC 2015-09-16 CN disclosed