Sugi Predict

Sugi Predict / Compounds / Amphetamine

Amphetamine

Amphetamine

SCHEMBL4016537

CC(N)Cc1ccccc1.CC(N)Cc1ccccc1.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A2SLC6A3

The experimentally established mechanism targets of Amphetamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 known ✓ P23975 3/20 0.76
▸ SLC6A3 known ✓ Q01959 1/20 0.76
▸ TAAR1 Q96RJ0 5/20 0.76
▸ SLC6A4 P31645 3/20 0.76
▸ MAOA P21397 1/20 0.76
▸ SIGMAR1 Q99720 1/20 0.76
▸ CYP2A6 P11509 1/20 0.76
▸ ADORA2A P29274 1/20 0.76
▸ ADORA1 P30542 1/20 0.76
▸ CYP2D6 P10635 1/20 0.53
▸ PNMT P11086 1/20 0.53
▸ ALPI P09923 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ XIAP P98170 1/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ EPHX1 P07099 1/20 0.50
▸ ANPEP P15144 1/20 0.48
▸ LAP3 P28838 1/20 0.48

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
Levamfetamine SCHEMBL1978104 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3
Amphetamine SCHEMBL6465998 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3
Levamfetamine SCHEMBL396231 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3
Amphetamine SCHEMBL41204 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3
Amphetamine SCHEMBL8025793 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3
Amphetamine SCHEMBL2412146 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3
Dextroamphetamine SCHEMBL7204032 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3
Dextroamphetamine SCHEMBL18948 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3
Amphetamine SCHEMBL41203 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3
Dextroamphetamine SCHEMBL18949 1.00 TAAR1 (0.76) TAAR1SLC6A2SLC6A4MAOASLC6A3

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-2074091-B1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS LUNDBECK & CO AS H (DK) 2015-01-07 — — EP disclosed
WO-2009112541-A2 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2009-09-17 — — WO disclosed
EP-2074091-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. Lundbeck A/S (DK) 2009-07-01 — — EP disclosed
WO-2008037258-A1 [2-(6-FLOURO-1H-INDOL-3-YLSULFANYL)BENZYL]METHYL AMINE FOR THE TREATMENT OF AFFECTIVE DISORDERS H. LUNDBECK A/S (DK) 2008-04-03 — — WO disclosed