SCHEMBL5941284

SCHEMBL5941284

CC(C)C[C@](N)(C(=O)O)C(=O)CC(S)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
GRM2 Q14416 3/20 0.36
GRM3 Q14832 3/20 0.36
ACE P12821 1/20 0.35
GAA P10253 1/20 0.35
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
ALOX5 P09917 1/20 0.33
LAP3 P28838 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL8198281 0.75 SMN1; SMN2 (0.42) SMN1; SMN2HIF1ACYP1A2CYP2D6GRM2
SCHEMBL9636355 0.73 ACE (0.40) SMN1; SMN2HIF1ACYP1A2CYP2D6GRM2
SCHEMBL29436998 0.71 HPGD (0.50) SMN1; SMN2HIF1ACYP2D6ALOX5
SCHEMBL5941281 0.71 SMN1; SMN2 (0.46) SMN1; SMN2HIF1AACELAP3
SCHEMBL11213498 0.69 GRM2 (0.40) SMN1; SMN2HIF1AGRM2GRM3
SCHEMBL13270955 0.69 CYP2C19 (0.51) SMN1; SMN2CYP1A2CYP2D6GABBR2GABBR1
SCHEMBL28062037 0.69 MTNR1A (0.47) CYP2D6ACEGABBR2GABBR1
SCHEMBL1171114 0.69 GABBR2 (0.53) CYP2D6GABBR2GABBR1
SCHEMBL27924822 0.67 GAA (0.44) SMN1; SMN2HIF1ACYP1A2CYP2D6GAA
Hydrogen Sulfide SCHEMBL28282419 0.67 GABBR2 (0.52) CYP2D6GABBR2GABBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079495-A1 Diagnosis and treatment system for \"reward deficiency syndrome\" (RDS) and related behaviors SYNAPTAMINE, INC. 2006-04-13 US disclosed
US-6955873-B1 Diagnosis and treatment system for reward deficiency syndrome (RDS) and related behaviors SYNAPTAMINE, INC. 2005-10-18 US disclosed
US-6132724-A Allelic polygene diagnosis of reward deficiency syndrome and treatment CITY OF HOPE NATIONAL MEDICAL CENTER (US) 2000-10-17 US disclosed
EP-0979092-A2 ALLELIC POLYGENE DIAGNOSIS OF REWARD DEFICIENCY SYNDROME AND TREATMENT Kenneth Blum, Inc. (US) 2000-02-16 EP disclosed
WO-1998048785-A9 ALLELIC POLYGENE DIAGNOSIS OF REWARD DEFICIENCY SYNDROME AND TREATMENT KENNETH BLUM INC (US) 1999-05-20 WO disclosed
WO-1998048785-A2 ALLELIC POLYGENE DIAGNOSIS OF REWARD DEFICIENCY SYNDROME AND TREATMENT KENNETH BLUM, INC. (US) 1998-11-05 WO disclosed
EP-0381696-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF COCAINE ADDICTION MATRIX TECHNOLOGIES, INC. (US) 1993-07-28 EP disclosed
US-5189064-A Administering enkephalinase inhibitor and neurotransmitter precursor MATRIX TECHNOLOGIES, INC. (US) 1993-02-23 US disclosed
EP-0381696-A4 TREATMENT OF COCAINE ADDICTION 1990-10-10 EP disclosed
EP-0381696-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF COCAINE ADDICTION. MATRIX TECHNOLOGIES INC (US) 1990-08-16 EP disclosed
WO-1989003211-A1 TREATMENT OF COCAINE ADDICTION MATRIX TECHNOLOGIES, INCORPORATED (US) 1989-04-20 WO disclosed
US-4761429-A ALCOHOL CRAVING BIESER, ALBERT H. 1988-08-02 US disclosed