SCHEMBL9813873

SCHEMBL9813873

CCOCCOc1ccc(CCN(C[C@@H](O)c2cccc(Cl)c2)C[C@H](O)c2cccc(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.48
ADRB1 P08588 9/20 0.48
ADRB2 P07550 6/20 0.48
SLC2A1 P11166 3/20 0.47
CYP51A1 Q16850 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL9813880 1.00 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1CYP51A1
SCHEMBL9813877 1.00 ADRB3 (0.48) ADRB3ADRB1ADRB2SLC2A1CYP51A1
SCHEMBL10506511 0.91 CYP51A1 (0.44) ADRB3ADRB1ADRB2SLC2A1CYP51A1
SCHEMBL10506492 0.91 CYP51A1 (0.44) ADRB3ADRB1ADRB2SLC2A1CYP51A1
SCHEMBL9813906 0.89 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1MEN1
SCHEMBL9813917 0.89 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1MEN1
SCHEMBL9813911 0.89 ADRB3 (0.45) ADRB3ADRB1ADRB2SLC2A1MEN1
SCHEMBL10339991 0.88 ADRB3 (0.57) ADRB3ADRB1ADRB2SLC2A1MEN1
SCHEMBL10339992 0.88 ADRB3 (0.57) ADRB3ADRB1ADRB2SLC2A1MEN1
SCHEMBL9813959 0.88 MEN1 (0.43) ADRB3CYP51A1MEN1KMT2ACYP2D6

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
US-5017619-A Anitdiabetic HOFFMANN-LA ROCHE INC. (US) 1991-05-21 US claimed
EP-0198412-B1 PHENETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-03-22 EP claimed
US-5017619-A Anitdiabetic HOFFMANN-LA ROCHE INC. (US) 1991-05-21 US disclosed