SCHEMBL4690429

SCHEMBL4690429

CC(C)SC(N)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.59
SLC6A4 P31645 3/20 0.59
SLC6A2 P23975 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
MAOA P21397 1/20 0.59
SLC6A3 Q01959 1/20 0.59
CYP2A6 P11509 1/20 0.59
ADORA2A P29274 1/20 0.59
ADORA1 P30542 1/20 0.59
CYP2D6 P10635 1/20 0.55
EPHX1 P07099 1/20 0.52
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC18A2 Q05940 1/20 0.45
ANPEP P15144 1/20 0.45

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
SCHEMBL3840540 0.78 SLC6A4 (0.58) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
SCHEMBL27284505 0.78 SLC6A4 (0.58) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
Levamfetamine SCHEMBL573666 0.78 SLC6A2 (0.95) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
Levamfetamine SCHEMBL4070216 0.78 SLC6A2 (0.95) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
Amphetamine SCHEMBL27581784 0.78 SLC6A2 (0.95) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
Amphetamine SCHEMBL4070210 0.78 SLC6A2 (0.95) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
Dextroamphetamine SCHEMBL1042914 0.78 SLC6A2 (0.95) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
Amphetamine SCHEMBL573665 0.78 SLC6A2 (0.95) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
Dextroamphetamine SCHEMBL9114306 0.78 SLC6A2 (0.95) TAAR1SLC6A4SLC6A2SIGMAR1MAOA
SCHEMBL3840804 0.75 SLC6A4 (0.54) TAAR1SLC6A4SLC6A2SIGMAR1MAOA

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
EP-1375489-B1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO (JP) 2008-08-20 EP disclosed
US-6916806-B2 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2005-07-12 US disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed