SCHEMBL4692874

SCHEMBL4692874

CC(C)C(N)Cc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.53
MIF P14174 1/20 0.53
HTR2A P28223 1/20 0.53
ADRA1A P35348 1/20 0.53
HTR2B P41595 1/20 0.53
ENPP2 Q13822 1/20 0.52
TAAR1 Q96RJ0 5/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
GRIA2 P42262 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.46
PNMT P11086 1/20 0.46

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
Gepefrine SCHEMBL30011768 0.86 TAAR1 (0.61) ADRB1MIFHTR2AADRA1AHTR2B
Gepefrine SCHEMBL265538 0.86 TAAR1 (0.61) ADRB1MIFHTR2AADRA1AHTR2B
Gepefrine SCHEMBL149774 0.86 TAAR1 (0.61) ADRB1MIFHTR2AADRA1AHTR2B
Gepefrine SCHEMBL2562808 0.86 TAAR1 (0.61) ADRB1MIFHTR2AADRA1AHTR2B
Gepefrine SCHEMBL2903938 0.85 TAAR1 (0.59) ADRB1MIFHTR2AADRA1AHTR2B
Gepefrine SCHEMBL2903935 0.85 TAAR1 (0.59) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL4531632 0.84 ALOX15 (0.55) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL3067767 0.80 ENPP2 (0.59) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL647401 0.80 OPRM1 (0.54) ENPP2TAAR1DRD2DRD1CYP1A2
SCHEMBL19342844 0.79 ADRB1 (0.50) ADRB1MIFHTR2AADRA1AHTR2B

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 6 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
CN-1301981-C Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO (JP) 2007-02-28 CN disclosed
CN-1247553-C 2-imino-1,3-thiazine derivs. SHIONOGI & CO (JP) 2006-03-29 CN 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