SCHEMBL4693256

SCHEMBL4693256

CC(C)C(N)Cc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAAR1 Q96RJ0 5/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
MAOA P21397 2/20 0.41
SLC6A4 P31645 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL4693931 0.82 TAAR1 (0.43) TAAR1SLC6A2SLC6A3MAOASLC6A4
SCHEMBL1718685 0.81 TAAR1 (0.64) TAAR1SLC6A2SLC6A3MAOASLC6A4
SCHEMBL158968 0.81 TAAR1 (0.64) TAAR1SLC6A2SLC6A3MAOASLC6A4
SCHEMBL1718675 0.81 TAAR1 (0.64) TAAR1SLC6A2SLC6A3MAOASLC6A4
SCHEMBL13416785 0.80 TRPA1 (0.62) TAAR1SLC6A2SLC6A3LOXL2MAOA
SCHEMBL19342840 0.80 TAAR1 (0.69) TAAR1SLC6A2
SCHEMBL4388223 0.80 TAAR1 (0.69) TAAR1SLC6A2
SCHEMBL13416380 0.80 SLC6A2 (0.69) TAAR1SLC6A2SLC6A3MAOASLC6A4
SCHEMBL4692957 0.80 SLC6A2 (0.69) TAAR1SLC6A2SLC6A3MAOASLC6A4
SCHEMBL7286460 0.79 TAAR1 (0.67) TAAR1SLC6A2SLC6A3MAOASLC6A4

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