SCHEMBL8427328

SCHEMBL8427328

CCC(=O)Oc1ccc(OCCNC[C@@H](O)c2ccc(N)nc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.60
ADRB1 P08588 12/20 0.60
ALOX15 P16050 1/20 0.46
ADRB2 P07550 6/20 0.44
ESR1 P03372 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL8129752 0.89 ADRB3 (0.65) ADRB3ADRB1ALOX15ADRB2
SCHEMBL8477150 0.89 ADRB3 (0.65) ADRB3ADRB1ALOX15ADRB2
SCHEMBL8477156 0.89 ADRB3 (0.65) ADRB3ADRB1ALOX15ADRB2
SCHEMBL8480309 0.86 ADRB3 (0.61) ADRB3ADRB1ALOX15ADRB2
SCHEMBL8480316 0.86 ADRB3 (0.61) ADRB3ADRB1ALOX15ADRB2
SCHEMBL8480311 0.86 ADRB3 (0.61) ADRB3ADRB1ALOX15ADRB2
SCHEMBL3704286 0.85 ADRB3 (0.60) ADRB3ADRB1ALOX15ADRB2
SCHEMBL3704284 0.85 ADRB3 (0.60) ADRB3ADRB1ALOX15ADRB2
SCHEMBL3511598 0.85 ADRB3 (0.65) ADRB3ADRB1ALOX15ADRB2
SCHEMBL3157183 0.85 ADRB3 (0.65) ADRB3ADRB1ALOX15ADRB2

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-0887079-A1 Beta-Adrenergic agonists to reduce a wasting condition PFIZER INC. (US) 1998-12-30 EP claimed
US-6001856-A β-adrenergic agonists to reduce a wasting condition PFIZER INC. (US) 1999-12-14 US disclosed
EP-0887079-A1 Beta-Adrenergic agonists to reduce a wasting condition PFIZER INC. (US) 1998-12-30 EP disclosed