SCHEMBL9770894

SCHEMBL9770894

CNC(=O)COc1ccc(CC(C)N2CCOC(c3cccc(Cl)n3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 3/20 0.38
THRB P10828 3/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
ITGA4 P13612 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GRIN2B Q13224 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PFKFB3 Q16875 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9770814 0.91 GLA (0.40) AVPR1BTHRBLMNAKMT2AMEN1
SCHEMBL9770829 0.91 ADRB2 (0.38) AVPR1BTHRBLMNAADRB2ADRB1
SCHEMBL9770863 0.90 ADRB2 (0.39) AVPR1BTHRBLMNAADRB2ADRB1
SCHEMBL9770796 0.85 ADRB2 (0.37) AVPR1BKMT2AMEN1ADRB2ADRB1
SCHEMBL10505849 0.84 ADRB2 (0.42) AVPR1BTHRBLMNAADRB2ADRB1
SCHEMBL10506500 0.83 CNR2 (0.42) THRBLMNAKMT2AMEN1ALDH1A1
SCHEMBL8881191 0.83 MEN1 (0.35) AVPR1BTHRBLMNAKMT2AMEN1
SCHEMBL9770835 0.83 SLC2A1 (0.35) AVPR1BKMT2AMEN1ADRB2ADRB1
Hydrochloric Acid SCHEMBL10506706 0.83 ADRB2 (0.41) AVPR1BTHRBLMNAADRB2ADRB1
Hydrochloric Acid SCHEMBL10506709 0.83 ADRB2 (0.41) AVPR1BTHRBLMNAADRB2ADRB1

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
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