SCHEMBL11094669

SCHEMBL11094669

CC(C)NCC(O)COc1ccc(OCCOc2cccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.64
ADRB1 P08588 4/20 0.64
CYP2D6 P10635 3/20 0.64
ADRB3 P13945 1/20 0.64
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
MAPT P10636 1/20 0.56
NR3C1 P04150 1/20 0.55
ADRA1A P35348 1/20 0.55
CYP2J2 P51589 1/20 0.55
PDE4D Q08499 1/20 0.55

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
Fumaric Acid SCHEMBL11094432 0.91 LMNA (0.57) ADRB2ADRB1CYP2D6ADRB3PTGS1
Maleic Acid SCHEMBL11094426 0.91 LMNA (0.57) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11096422 0.85 PTGS1 (0.67) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11667770 0.85 ADRB2 (0.88) ADRB2ADRB1CYP2D6ADRB3PTGS1
Hydrochloric Acid SCHEMBL11115110 0.82 ADRB2 (0.63) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11038848 0.80 ADRB2 (0.64) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11094430 0.80 KMT2A (0.44) ADRB2ADRB1CYP2D6ADRB3
SCHEMBL7367812 0.79 ADRB2 (1.00) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL8266174 0.79 ADRB2 (1.00) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11142317 0.79 PTGS1 (0.64) ADRB2ADRB1CYP2D6ADRB3PTGS1

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-0125315-A1 PHENOXYAMINOPROPANOL DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1984-11-21 EP claimed