SCHEMBL8727043

SCHEMBL8727043

C[C@@H](N)Cc1ccc(OCP(=O)(O)C2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 1/20 0.39
ADRB2 P07550 2/20 0.37
ADRB3 P13945 2/20 0.37
ACACB O00763 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL8728401 0.81 MAOB (0.39) TAAR1PTPN1
SCHEMBL8727063 0.80 PTPN1 (0.55) SLC6A4TAAR1SLC6A2ADRB2ADRB3
SCHEMBL8727070 0.80 PTPN1 (0.55) SLC6A4TAAR1SLC6A2ADRB2ADRB3
SCHEMBL8758152 0.77 ACACB (0.50) ACACB
SCHEMBL8584969 0.77 CYP2C9 (0.56)
SCHEMBL8636517 0.76 SLC6A4 (0.50) SLC6A4TAAR1SLC6A2
SCHEMBL8986924 0.74 SLC6A4 (0.47) SLC6A4TAAR1SLC6A2ADRB2ADRB3
SCHEMBL8758643 0.73 ADRB3 (0.53) ADRB2ADRB3
SCHEMBL8732233 0.73 ADRB3 (0.48) SLC6A4TAAR1SLC6A2ADRB3
SCHEMBL8758035 0.73 ADRB3 (0.48) SLC6A4TAAR1SLC6A2ADRB3

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
US-5726165-A HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-10 US disclosed
EP-0772585-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP disclosed
WO-1996004234-A1 ARYLOXY ANDARYCTHIO PROPANOLAMINE DERIVATIVES USEFUL AS B3-ADRENORECEPTOR AGONISTS AND ANTAGONS OF THE B1 AND B2 ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1996-02-15 WO disclosed
WO-1996004233-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1996-02-15 WO disclosed