SCHEMBL5723907

SCHEMBL5723907

COc1cccc(OC)c1CNC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.56
MTNR1B P49286 10/20 0.56
HIF1A Q16665 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.48
ROCK2 O75116 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL28872280 0.84 HIF1A (0.54) MTNR1AMTNR1BHIF1AALDH1A1ROCK2
SCHEMBL28872227 0.82 HIF1A (0.49) MTNR1AMTNR1BHIF1AALDH1A1ROCK2
SCHEMBL14031174 0.80 PTPN1 (0.61) MTNR1AMTNR1BPTPN1
SCHEMBL885000 0.80 MTNR1A (0.71) MTNR1AMTNR1BNPSR1ALDH1A1
SCHEMBL7495080 0.80 ROCK2 (0.59) MTNR1AMTNR1BHIF1ANPSR1ALDH1A1
SCHEMBL11857049 0.77 MAPT (0.45) MTNR1AMTNR1BALDH1A1PTPN1
SCHEMBL13345684 0.77 HSD17B10 (0.51) HIF1AALDH1A1PTPN1
SCHEMBL4658256 0.76 HIF1A (0.43) MTNR1AMTNR1BHIF1ANPSR1ALDH1A1
SCHEMBL16950132 0.76 HIF1A (0.49) HIF1AALDH1A1ROCK2
SCHEMBL23774185 0.76 MTNR1A (0.49) MTNR1AMTNR1BNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP claimed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO claimed
EP-1633715-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS Pfizer Limited (GB) 2006-03-15 EP disclosed
WO-2004108676-A1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LIMITED (GB) 2004-12-16 WO disclosed