SCHEMBL9062874

SCHEMBL9062874

CCOP(=O)(COc1ccc(C[C@@H](C)N)cc1)OCC

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
TAAR1 Q96RJ0 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL8759440 0.87 MAOA (0.47) SLC6A4
SCHEMBL8634781 0.86 SLC6A4 (0.47) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL8634784 0.86 SLC6A4 (0.47) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL8634785 0.86 SLC6A4 (0.47) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL8733064 0.85 SLC6A4 (0.46) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL8759552 0.84 SLC6A4 (0.51) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL8727063 0.80 PTPN1 (0.55) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL8727070 0.80 PTPN1 (0.55) SLC6A4TAAR1SLC6A2SLC6A3
SCHEMBL8636517 0.79 SLC6A4 (0.50) SLC6A4TAAR1SLC6A2
SCHEMBL2553015 0.79 SLC6A4 (0.66) SLC6A4TAAR1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711284-A1 2-BENZOHETEROCYCLYLOXY OR THIOPROPANOLAMINE DERIVATIVES WITH ADRENO RECEPTOR AGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004047-A1 2-BENZOHETEROCYCLYLOXY OR THIOPROPANOLAMINE DERIVATIVES WITH ADRENO RECEPTOR AGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed