SCHEMBL9015347

SCHEMBL9015347

COc1ccc(C(Cc2ccccc2)NC[C@H](O)COc2cccc(O)c2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.58
ADRB2 P07550 11/20 0.58
ADRB1 P08588 8/20 0.58
HTR1A P08908 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL9015395 0.92 ADRB3 (0.56) ADRB3ADRB2ADRB1HTR1AADRA2C
SCHEMBL9015366 0.92 ADRB3 (0.59) ADRB3ADRB2ADRB1HTR1AADRA2C
SCHEMBL9015365 0.91 ADRB3 (0.57) ADRB3ADRB2ADRB1
SCHEMBL9015351 0.91 ADRB3 (0.57) ADRB3ADRB2ADRB1
SCHEMBL9015332 0.89 ADRB3 (0.54) ADRB3ADRB2ADRB1
SCHEMBL9015408 0.86 ADRB3 (0.54) ADRB3ADRB2ADRB1HTR1AADRA2C
SCHEMBL9015389 0.86 ADRB3 (0.54) ADRB3ADRB2ADRB1
SCHEMBL9015384 0.86 ADRB3 (0.54) ADRB3ADRB2ADRB1
SCHEMBL9027131 0.86 ADRB3 (0.60) ADRB3ADRB2ADRB1
SCHEMBL9015345 0.86 ADRB3 (0.60) ADRB3ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714883-A1 Aryloxypropanolamine beta 3 adrenergic agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-05 EP claimed
US-5541204-A Aryloxypropanolamine β 3 adrenergic agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-07-30 US disclosed
EP-0714883-A1 Aryloxypropanolamine beta 3 adrenergic agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-05 EP disclosed