SCHEMBL9015350

SCHEMBL9015350

COc1ccc(C(Cc2ccccc2)NC[C@H](O)COc2ccccc2OCc2ccccc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.55
ADRB2 P07550 6/20 0.55
ADRB1 P08588 5/20 0.55
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PRSS3 P35030 1/20 0.46
POLB P06746 1/20 0.45
AGTR1 P30556 1/20 0.44

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
SCHEMBL9015332 0.91 ADRB3 (0.54) ADRB3ADRB2ADRB1
SCHEMBL9015395 0.90 ADRB3 (0.56) ADRB3ADRB2ADRB1
SCHEMBL9015345 0.90 ADRB3 (0.60) ADRB3ADRB2ADRB1
SCHEMBL9027131 0.90 ADRB3 (0.60) ADRB3ADRB2ADRB1
SCHEMBL9015366 0.89 ADRB3 (0.59) ADRB3ADRB2ADRB1
SCHEMBL9026756 0.88 ADRB3 (0.54) ADRB3ADRB2ADRB1AGTR1
SCHEMBL9015365 0.87 ADRB3 (0.57) ADRB3ADRB2ADRB1
SCHEMBL9015351 0.87 ADRB3 (0.57) ADRB3ADRB2ADRB1
SCHEMBL9015383 0.86 ADRB3 (0.52) ADRB3ADRB2ADRB1
SCHEMBL9015384 0.86 ADRB3 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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