SCHEMBL4775581

SCHEMBL4775581

CCOC(=O)Oc1ccc2ncn(CCC(C)(C)NCC(O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.42
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
THRB P10828 2/20 0.34
BLM P54132 2/20 0.34
PLEC Q15149 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1I2 O75469 1/20 0.34
APAF1 O14727 1/20 0.33
NSD2 O96028 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 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
SCHEMBL4773319 1.00 ADRB3 (0.42) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4773347 0.92 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4772787 0.92 ADRB3 (0.42) ADRB3ADRB2ADRB1HPGDNR1I2
SCHEMBL4767835 0.90 ADRB3 (0.36) ADRB3ALDH1A1NPSR1OPRM1OPRD1
SCHEMBL4832542 0.89 ADRB3 (0.40) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4897148 0.89 ADRB3 (0.43) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4893736 0.89 ADRB3 (0.43) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4897137 0.89 ADRB3 (0.43) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4840747 0.88 ADRB3 (0.42) ADRB3ALDH1A1NPSR1ADRB2ADRB1
SCHEMBL4777081 0.88 ADRB3 (0.42) ADRB3ALDH1A1NPSR1ADRB2ADRB1

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
EP-1945304-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-23 EP disclosed
WO-2007048843-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed