SCHEMBL6597489

SCHEMBL6597489

CC1CCCCC1(C(N)=O)c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.41
SLC6A4 P31645 13/20 0.41
SLC6A3 Q01959 1/20 0.37
KCNA3 P22001 1/20 0.35

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
SCHEMBL6594703 0.89 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNA3
SCHEMBL6597123 0.75 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL6595913 0.75 CHRM1 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL8183498 0.69 KCNA3 (0.33) KCNA3
SCHEMBL6596098 0.69 CTSS (0.33) SLC6A4SLC6A3
SCHEMBL9330906 0.68 AKR1C1 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL2913172 0.67 HDAC4 (0.48)
SCHEMBL6596909 0.67 PRCP (0.42) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8183271 0.66 PRCP (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL6599116 0.65 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A3

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
EP-0915867-B1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOD CONSEILS RECH APPLIC (FR) 2004-10-06 EP claimed
EP-0915867-B1 THIENYLCYCLOHEXANE DERIVATIVES FOR THIENYLCYCLOHEXYL SYNTHESIS SOD CONSEILS RECH APPLIC (FR) 2004-10-06 EP disclosed
US-6107495-A REACTING SPECIFIED 1-(2- OR 3-THIENYL) CYCLOHEXANES WITH A 1,5-DIHALOPENTANE TO FORM CYCLIC (THIENYLCYCLOHEXYL)AMINES SUCH AS 2-ALKYL-(3-THIENYL)CYCLOHEXYL PIPERIDINE; USE AS INTERMEDIATES TO RADIOACTIVE LABELLED MOLECULES SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 2000-08-22 US disclosed