SCHEMBL4388223

SCHEMBL4388223

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

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.69
SLC6A2 P23975 1/20 0.69
ESR1 P03372 7/20 0.55
ESR2 Q92731 7/20 0.55
SLC7A5 Q01650 1/20 0.52
ABAT P80404 1/20 0.44
OPRK1 P41145 1/20 0.43
TRPA1 O75762 1/20 0.42

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
SCHEMBL19342840 1.00 TAAR1 (0.69) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL15951398 0.86 TAAR1 (0.67) TAAR1SLC6A2ESR1ESR2SLC7A5
(S)-P-Hydroxyamphetamine SCHEMBL256809 0.82 TAAR1 (1.00) TAAR1SLC6A2ESR1ESR2
Hydroxyamphetamine SCHEMBL125442 0.82 TAAR1 (1.00) TAAR1SLC6A2ESR1ESR2
Hydroxyamphetamine SCHEMBL125440 0.82 TAAR1 (1.00) TAAR1SLC6A2ESR1ESR2
SCHEMBL20673668 0.81 TAAR1 (0.67) TAAR1SLC6A2ESR1ESR2OPRK1
SCHEMBL20673669 0.81 TAAR1 (0.67) TAAR1SLC6A2ESR1ESR2OPRK1
Hydroxyamphetamine SCHEMBL219710 0.80 TAAR1 (0.95) TAAR1SLC6A2ESR1ESR2
Hydroxyamphetamine SCHEMBL221291 0.80 TAAR1 (0.95) TAAR1SLC6A2ESR1ESR2
Hydroxyamphetamine SCHEMBL11539011 0.80 TAAR1 (0.95) TAAR1SLC6A2ESR1ESR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO claimed
US-8227390-B2 Binder resin for friction material, binder resin composition for friction material, composite material for friction material containing the same, friction material and production method thereof AKEBONO BRAKE INDUSTRY CO., LTD. (JP) 2012-07-24 US disclosed
US-20090137434-A1 BINDER RESIN FOR FRICTION MATERIAL, BINDER RESIN COMPOSITION FOR FRICTION MATERIAL, COMPOSITE MATERIAL FOR FRICTION MATERIAL CONTAINING THE SAME, FRICTION MATERIAL AND PRODUCTION METHOD THEREOF AKEBONO BRAKE INDUSTRY CO., LTD (JP) 2009-05-28 US disclosed
EP-1375489-B1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO (JP) 2008-08-20 EP disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO 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