SCHEMBL894528

SCHEMBL894528

C[C@H](N)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.60
TAAR1 Q96RJ0 3/20 0.60
SLC6A4 P31645 2/20 0.60
SLC6A3 Q01959 2/20 0.60
CYP2A6 P11509 2/20 0.60
MAOA P21397 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
ANPEP P15144 2/20 0.52
ERAP1 Q9NZ08 2/20 0.52
ERAP2 Q6P179 1/20 0.52
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
POLB P06746 1/20 0.47
AOC3 Q16853 1/20 0.47
EPHX1 P07099 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
SCHEMBL605244 1.00 SLC6A2 (0.60) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
SCHEMBL1280 1.00 SLC6A2 (0.60) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
SCHEMBL30913000 1.00 SLC6A2 (0.60) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Ammonia Solution, Strong SCHEMBL5682054 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Ammonia Solution, Strong SCHEMBL20773844 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Hydrochloric Acid SCHEMBL10973407 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Hydrogen Sulfide SCHEMBL28135421 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Hydrochloric Acid SCHEMBL4752502 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Iodide SCHEMBL29195325 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6
Hydrochloric Acid SCHEMBL10976633 0.98 SLC6A2 (0.58) SLC6A2TAAR1SLC6A4SLC6A3CYP2A6

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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12104106-B2 Compositions of chiral molecules and perovskite nanocrystals and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2024-10-01 US claimed
US-20220326082-A1 CHIRAL HETEROSTRUCTURES Alliance for Energy Innovation, LLC 2022-10-13 US claimed
EP-0396596-A1 PROCESSES AND COMPOUNDS USEFUL FOR RESOLVING 1-METHYL-3-PHENYLPROPYLAMINE SCHERING CORPORATION (US) 1990-11-14 EP claimed
WO-1989005787-A2 PROCESSES AND COMPOUNDS USEFUL FOR RESOLVING 1-METHYL-3-PHENYLPROPYLAMINE SCHERING CORPORATION (US) 1989-06-29 WO claimed
EP-0320898-A2 Processes and compounds useful for resolving 1-methyl-3-phenylpropylamine SCHERING CORPORATION (US) 1989-06-21 EP claimed
JP-2001429-A None JP disclosed
JP-2003627-A None JP disclosed
JP-2003628-A None JP disclosed
JP-2025455-A None JP disclosed
JP-2017154-A None JP disclosed
JP-63237796-A None JP disclosed
JP-4108766-A None JP disclosed
EP-0320898-A2 Processes and compounds useful for resolving 1-methyl-3-phenylpropylamine SCHERING CORPORATION (US) 1989-06-21 EP disclosed
US-4816457-A HYPOTENSIVE AGENTS, BRONCHODILATORS, EYES MERCK & CO., INC., A CORP. OF NJ 1989-03-28 US disclosed
JP-S63237796-A PRODUCTION OF OPTICALLY ACTIVE 1-METHYL-3-PHENYLPROPYLAMINE KANEGAFUCHI CHEM IND CO LTD 1988-10-04 JP disclosed
EP-0105053-B1 ARALKYLAMINOETHANOL HETEROCYCLIC COMPOUNDS MERCK & CO. INC. (US) 1988-01-20 EP disclosed
US-4686222-A ADRENERGIC BLOCKERS, BRONCHODILATORS MERCK & CO., INC. (US) 1987-08-11 US disclosed
US-4568679-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS, BRONCHODILATOR AGENTS, REDUCING INTRAOCULAR PRESSURE MERCK & CO., INC. (US) 1986-02-04 US disclosed
EP-0105053-A1 Aralkylaminoethanol heterocyclic compounds MERCK & CO. INC. (US) 1984-04-11 EP disclosed
US-4358455-A GLAUCOMA, HYPOTENSIVE, ANTIARRHYTHMIA, BRONCHODILATORS MERCK & CO., INC. (US) 1982-11-09 US disclosed