SCHEMBL7994900

SCHEMBL7994900

CCCN(C(=O)Cl)C1CCSCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ADH1A P07327 2/20 0.31
ADH1C P00326 1/20 0.31

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
SCHEMBL7980484 0.90 PYGL (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL7786917 0.87 SLC6A4 (0.36) SLC6A4KCNH2SLC6A2SLC6A3ADH1A
SCHEMBL7994564 0.85 L3MBTL1 (0.33) SLC6A4SLC6A2
SCHEMBL8034863 0.83 ADH1A (0.46) SLC6A4KCNH2ADH1AADH1C
SCHEMBL8041770 0.81 ADH1A (0.47) ADH1AADH1C
SCHEMBL8903152 0.81 ADH1A (0.47) ADH1AADH1C
SCHEMBL8977190 0.80 SLC6A4 (0.33) SLC6A4KCNH2SLC6A2SLC6A3ADH1A
SCHEMBL7992320 0.79 PIK3CD (0.47) SLC6A4KCNH2SLC6A2SLC6A3ADH1A
SCHEMBL8602631 0.76 L3MBTL1 (0.44) ADH1AADH1C
SCHEMBL8977217 0.74 ADH1C (0.46) ADH1AADH1C

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
US-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
EP-1003741-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed