SCHEMBL9770957

SCHEMBL9770957

COC(=O)COc1ccc(CC(C)N2CCOC(c3cccc(C(F)(F)F)n3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
DRD4 P21917 9/20 0.38
HTR1A P08908 9/20 0.38
KCNH2 Q12809 4/20 0.38
GLA P06280 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
DRD2 P14416 7/20 0.37
ACACB O00763 7/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
CHRM2 P08172 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL9770789 0.92 HTR1A (0.36) DRD4HTR1AKCNH2ADRB2ADRB1
SCHEMBL9770814 0.88 GLA (0.40) ALOX5APDRD4GLAADRB2ADRB1
SCHEMBL9770929 0.87 HTR1A (0.37) DRD4HTR1AKCNH2ADRB2ADRB1
SCHEMBL8880246 0.85 ALOX5AP (0.36) ALOX5APHTR1AGLAADRB2ADRB1
Hydrochloric Acid SCHEMBL10505873 0.82 CHRM2 (0.55) ALOX5APHTR1AGLAADRB2ADRB1
Hydrochloric Acid SCHEMBL10505879 0.82 ALOX5AP (0.44) ALOX5APDRD4HTR1AGLAADRB2
SCHEMBL8880254 0.82 MEN1 (0.36) ALOX5APGLAADRB2ADRB1ADRB3
SCHEMBL8880433 0.82 ALOX5AP (0.38) ALOX5APHTR1AGLAADRB2ADRB1
SCHEMBL8880440 0.81 KMT2A (0.35) ALOX5APGLAADRB2ADRB1ADRB3
SCHEMBL8879820 0.81 GLA (0.37) GLAADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026702-A Enhances physical performance in animals, effective in lowering blood sugar, reducing body fat and lowering atherogenic lipoproteins DR. KARL THOMAE, GMBH (DE) 1991-06-25 US disclosed
EP-0334146-A1 Morpholines and morpholine-N-oxides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1989-09-27 EP disclosed