SCHEMBL9015384

SCHEMBL9015384

COc1ccc(C(Cc2ccccc2)NC[C@H](O)COc2ccc(F)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.54
ADRB1 P08588 8/20 0.54
ADRB2 P07550 7/20 0.54
KMT2A Q03164 3/20 0.47
CYP2D6 P10635 1/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL9015389 1.00 ADRB3 (0.54) ADRB3ADRB1ADRB2KMT2ACYP2D6
SCHEMBL9015366 0.94 ADRB3 (0.59) ADRB3ADRB1ADRB2KMT2ACYP2D6
SCHEMBL9015365 0.91 ADRB3 (0.57) ADRB3ADRB1ADRB2KMT2A
SCHEMBL9015332 0.91 ADRB3 (0.54) ADRB3ADRB1ADRB2KMT2ACYP2D6
SCHEMBL9015351 0.91 ADRB3 (0.57) ADRB3ADRB1ADRB2KMT2A
SCHEMBL9015408 0.86 ADRB3 (0.54) ADRB3ADRB1ADRB2KMT2A
SCHEMBL9015395 0.86 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL9015347 0.86 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL9027131 0.86 ADRB3 (0.60) ADRB3ADRB1ADRB2
SCHEMBL9015345 0.86 ADRB3 (0.60) ADRB3ADRB1ADRB2

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