SCHEMBL5723903

SCHEMBL5723903

COc1cccc(OC)c1CCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.48
LMNA P02545 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CTSD P07339 1/20 0.44
CA4 P22748 1/20 0.44
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL4687876 0.90 HDAC1 (0.47) MTNR1ALMNACA12CA1CA2
SCHEMBL10784549 0.86 ALOX5 (0.50) MTNR1ALMNACA12CA1CA2
SCHEMBL8777227 0.83 PDE3B (0.49) MTNR1ALMNACA12CA1CA2
SCHEMBL11220923 0.82 PLA2G2A (0.51) LMNACA12CA1CA2CA7
SCHEMBL31689751 0.81 TAAR1 (0.59) MTNR1ALMNACA12CA1CA2
SCHEMBL2437293 0.81 TAAR1 (0.59) MTNR1ALMNACA12CA1CA2
SCHEMBL3065637 0.81 MTNR1A (0.52) MTNR1ALMNACA12CA1CA2
SCHEMBL4684928 0.81 CA12 (0.55) MTNR1ALMNACA12CA1CA2
SCHEMBL11582212 0.78 CA12 (0.53) MTNR1ALMNACA12CA1CA2
SCHEMBL1134102 0.76 SLC2A1 (0.55) MTNR1ALMNAKDM4ECYP1A2MAPT

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-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