SCHEMBL10885481

SCHEMBL10885481

COc1cc(OC)c(Cl)c(OCC(O)CNC(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
ADRB2 P07550 4/20 0.50
ADRB1 P08588 3/20 0.50
ADRB3 P13945 2/20 0.50

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
SCHEMBL10888885 0.83 MEN1 (0.52) CYP2D6ADRB2ADRB1ADRB3
SCHEMBL10891570 0.81 ADRB2 (0.64) CYP2D6ADRB2ADRB1ADRB3
SCHEMBL10896934 0.80 KDM4E (0.54)
Hydrochloric Acid SCHEMBL28047728 0.77
Levomoprolol SCHEMBL80725 0.76 ADRB2 (0.74) CYP2D6ADRB2ADRB1ADRB3
Moprolol SCHEMBL30002163 0.76 ADRB2 (0.74) CYP2D6ADRB2ADRB1ADRB3
Moprolol SCHEMBL80724 0.76 ADRB2 (0.74) CYP2D6ADRB2ADRB1ADRB3
Moprolol SCHEMBL30910938 0.76 ADRB2 (0.74) CYP2D6ADRB2ADRB1ADRB3
SCHEMBL27584406 0.75 CYP2D6 (0.61) CYP2D6ADRB2ADRB1ADRB3
Moprolol SCHEMBL9119947 0.74 ADRB2 (0.72) CYP2D6ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0110746-B1 DERIVATIVES OF 3-AMINO-1-PHENOXY-2-PROPANOL, THEIR THERAPEUTICAL USE AND PROCESS FOR THEIR PREPARATION LABORATOIRE L. LAFON Société anonyme dite: (FR) 1986-06-11 EP claimed
EP-0110746-A1 Derivatives of 3-amino-1-phenoxy-2-propanol, their therapeutical use and process for their preparation LABORATOIRE L. LAFON Société anonyme dite: (FR) 1984-06-13 EP claimed
EP-0110746-B1 DERIVATIVES OF 3-AMINO-1-PHENOXY-2-PROPANOL, THEIR THERAPEUTICAL USE AND PROCESS FOR THEIR PREPARATION LABORATOIRE L. LAFON Société anonyme dite: (FR) 1986-06-11 EP disclosed
EP-0110746-A1 Derivatives of 3-amino-1-phenoxy-2-propanol, their therapeutical use and process for their preparation LABORATOIRE L. LAFON Société anonyme dite: (FR) 1984-06-13 EP disclosed