SCHEMBL4318558

SCHEMBL4318558

COc1cccc(N(C(=O)OC(C)(C)C)C(C)CCC=O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.38
MTNR1B P49286 7/20 0.38
HSD17B2 P37059 4/20 0.38
HSD17B1 P14061 3/20 0.38
ALOX15 P16050 1/20 0.38
CTSK P43235 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4318553 1.00 MTNR1A (0.38) MTNR1AMTNR1BHSD17B2HSD17B1ALOX15
SCHEMBL4318013 0.89 MTNR1A (0.39) MTNR1AMTNR1BHSD17B2HSD17B1ALOX15
SCHEMBL4318019 0.89 MTNR1A (0.39) MTNR1AMTNR1BHSD17B2HSD17B1ALOX15
SCHEMBL4330722 0.85 MTNR1A (0.43) MTNR1AMTNR1BHSD17B2HSD17B1ALOX15
SCHEMBL2556980 0.74 ALOX15 (0.45) MTNR1AMTNR1BHSD17B2HSD17B1ALOX15
SCHEMBL28012007 0.73 MTNR1A (0.45) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL4288276 0.72 PARP1 (0.44) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL1007582 0.72 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL1779795 0.72 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1TSHR
SCHEMBL27877846 0.72 MTNR1A (0.44) MTNR1AMTNR1BHSD17B2HSD17B1

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-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed