SCHEMBL9770929

SCHEMBL9770929

CC(Cc1ccc(OCCO)cc1)N1CCOC(c2cccc(C(F)(F)F)n2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.37
CHRM2 P08172 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
ACACB O00763 2/20 0.34
PPARG P37231 6/20 0.34
PPARA Q07869 5/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
DRD4 P21917 5/20 0.34
DRD2 P14416 4/20 0.34
NR1H4 Q96RI1 1/20 0.33
KCNH2 Q12809 3/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARD Q03181 1/20 0.32

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 0.88 HTR1A (0.36) HTR1ACHRM2DRD3HTR2BACACB
SCHEMBL9770796 0.87 ADRB2 (0.37) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL9770957 0.87 ALOX5AP (0.38) HTR1ACHRM2DRD3HTR2BACACB
SCHEMBL8881673 0.84 ADRB1 (0.33) HTR1ACHRM2DRD3HTR2BACACB
SCHEMBL9770835 0.81 SLC2A1 (0.35) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL8879419 0.80 HRH3 (0.36) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL8881426 0.80 PPARG (0.35) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL8880353 0.78 MEN1 (0.32) HTR1ACHRM2DRD3HTR2BADRB1
SCHEMBL9770964 0.77 SLC5A2 (0.35) ACACBPPARGPPARADRD4HRH3
SCHEMBL9770815 0.75 HRH3 (0.42) ACACBKCNH2HRH3

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