SCHEMBL11465951

SCHEMBL11465951

COCCc1ccc(OCC(O)CNCCOc2ccc(O)cc2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 5/20 0.54
▸ ADRB2 P07550 11/20 0.54
▸ ADRB1 P08588 6/20 0.54
▸ KMT2A Q03164 1/20 0.48
▸ NR3C1 P04150 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ CYP2J2 P51589 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL11477457 0.86 ADRB3 (0.72) ADRB3ADRB2ADRB1NR3C1CYP2D6
SCHEMBL11468576 0.81 ADRB2 (0.58) ADRB3ADRB2ADRB1NR3C1CYP2D6
SCHEMBL11464927 0.81 ADRB3 (0.82) ADRB3ADRB2ADRB1NR3C1CYP2D6
SCHEMBL11507196 0.79 ADRB2 (0.66) ADRB3ADRB2ADRB1NR3C1CYP2D6
SCHEMBL22279175 0.78 KMT2A (0.66) ADRB3ADRB2ADRB1KMT2AADRA1A
SCHEMBL11475095 0.77 CYP2D6 (0.67) ADRB3ADRB2ADRB1NR3C1CYP2D6
SCHEMBL11364046 0.75 ADRB2 (0.73) ADRB3ADRB2ADRB1KMT2AADRA1A
SCHEMBL27773039 0.74 ADRB2 (0.68) ADRB3ADRB2ADRB1NR3C1CYP2D6
SCHEMBL11472715 0.73 ADRB3 (0.62) ADRB3ADRB2ADRB1KMT2ANR3C1
SCHEMBL11355780 0.73 ATM (0.59) ADRB3ADRB2ADRB1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007294-A2 Membrane stabilizing compounds having beta-receptor blocking activity, their preparation, method for treatment of arrhythmic conditions, and pharmaceutical preparations containing same Aktiebolaget Hässle (SE) 1980-01-23 — — EP disclosed
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