SCHEMBL7418511

SCHEMBL7418511

CC(C)(C)OC(=O)[C@@H](C(=O)O)C(N)CCOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
LTA4H P09960 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
PPARG P37231 1/20 0.44
SLC1A1 P43005 3/20 0.42
SLC7A5 Q01650 1/20 0.41
CTSS P25774 1/20 0.41
SYK P43405 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 1/20 0.38

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
SCHEMBL29447511 0.85 LTA4H (0.57) PPARALTA4HL3MBTL1PPARGSLC1A1
SCHEMBL6293054 0.82 L3MBTL1 (0.50) PPARALTA4HL3MBTL1PPARGCTSS
SCHEMBL486968 0.81 L3MBTL1 (0.49) PPARALTA4HL3MBTL1PPARGCTSS
SCHEMBL30598766 0.81 L3MBTL1 (0.49) PPARALTA4HL3MBTL1PPARGCTSS
SCHEMBL486967 0.81 L3MBTL1 (0.49) PPARALTA4HL3MBTL1PPARGCTSS
SCHEMBL17756151 0.80 PPARA (0.48) PPARALTA4HL3MBTL1PPARGCTSS
SCHEMBL27605009 0.79 SLC1A1 (0.50) PPARALTA4HPPARGSLC1A1SLC7A5
SCHEMBL8148827 0.79 LTA4H (0.47) PPARALTA4HL3MBTL1PPARGSLC1A1
SCHEMBL27725065 0.78 L3MBTL1 (0.55) PPARALTA4HL3MBTL1PPARGCTSS
SCHEMBL27725067 0.78 L3MBTL1 (0.55) PPARALTA4HL3MBTL1PPARGCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0615977-B1 Spiro piperidines and homologs which promote release of growth hormone MERCK & CO INC (US) 2002-07-03 EP disclosed
US-6123964-A N-(1(R)-((1,2-DIHYDRO-1-METHANESULFONYLSPIRO(3H-INDOLE-3,4' -PIPERDIN)-1'-YL)CARBONYL)-2-(PHENYLMETHYLOXY)ETHYL)-2-AMINO-2-METHYL -PROPANAMIDE, SPECIFIED BINDER/DILUENT, FIRST AND SECOND DILUENTS, DISINTEGRANT, AND LUBRICANT(S); TABLETS MERCK & CO., INC. (US) 2000-09-26 US disclosed
US-5767124-A ADMINISTERING TO HUMANS AND ANIMALS TO TREAT PHYSIOLOGICAL OR MEDICAL CONDITIONS CHARACTERIZED BY A DEFICIENCY IN GROWTH HORMONE SECRETION MERCK & CO., INC. (US) 1998-06-16 US disclosed
US-5536716-A Spiro piperidines and homologs which promote release of growth hormone MERCK & CO., INC. (US) 1996-07-16 US disclosed
WO-1995011029-A1 COMBINATION OF BISPHOSPHONATES AND GROWTH HORMONE SECRETAGOGUES MERCK & CO., INC. (US) 1995-04-27 WO disclosed