SCHEMBL9770863

SCHEMBL9770863

CC(Cc1ccc(OCC(N)=O)cc1)N1CCOC(c2cccc(Cl)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
PIK3CA P42336 1/20 0.36
AVPR1B P47901 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
DRD4 P21917 1/20 0.34
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CHRM3 P20309 1/20 0.33
ACACA Q13085 1/20 0.33
FKBP1A P62942 1/20 0.32
ENPP2 Q13822 1/20 0.32
CNR1 P21554 1/20 0.32
MCHR1 Q99705 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ITGA4 P13612 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
SCHEMBL9770829 0.92 ADRB2 (0.38) ADRB2ADRB1ADRB3AVPR1BHRH3
SCHEMBL9770814 0.91 GLA (0.40) ADRB2ADRB1ADRB3AVPR1BHRH3
SCHEMBL9770894 0.90 AVPR1B (0.38) ADRB2ADRB1ADRB3AVPR1BHRH3
SCHEMBL9770796 0.87 ADRB2 (0.37) ADRB2ADRB1ADRB3AVPR1BHRH3
SCHEMBL9770835 0.84 SLC2A1 (0.35) ADRB2ADRB1ADRB3AVPR1BHRH3
SCHEMBL9770892 0.84 AVPR1B (0.38) ADRB1ADRB3AVPR1BHRH3DRD4
SCHEMBL9770964 0.83 SLC5A2 (0.35) AVPR1BHRH3DRD4LMNAPPARG
SCHEMBL9251458 0.83 PIK3CA (0.38) ADRB2ADRB1ADRB3PIK3CAAVPR1B
SCHEMBL9770815 0.82 HRH3 (0.42) HRH3
SCHEMBL9770885 0.81 HRH3 (0.35) HRH3DRD4PPARGPPARA

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