SCHEMBL13715437

SCHEMBL13715437

CC(C)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLS O94925 3/20 0.47
NR1H4 Q96RI1 1/20 0.45
BRD4 O60885 3/20 0.44
KDM4A O75164 1/20 0.44
SLC7A5 Q01650 1/20 0.44
NAMPT P43490 2/20 0.44
CREBBP Q92793 1/20 0.44
HDAC1 Q13547 1/20 0.43
KCNA5 P22460 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MMP13 P45452 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KMT2A Q03164 1/20 0.42
MEP1B Q16820 2/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL184425 0.85 NR1H4 (0.61) GLSNR1H4BRD4KDM4ASLC7A5
SCHEMBL13135999 0.85 GLS (0.50) GLSNR1H4BRD4KDM4ASLC7A5
SCHEMBL31044413 0.84 GLS (0.49) GLSNR1H4BRD4KDM4ASLC7A5
SCHEMBL879574 0.84 LOXL2 (0.56) GLSNR1H4BRD4KDM4ASLC7A5
SCHEMBL24140014 0.83 ALDH1A1 (0.49) GLSNR1H4BRD4KDM4ASLC7A5
SCHEMBL20474743 0.83 HDAC6 (0.56) GLSNR1H4NAMPTHDAC1MMP13
SCHEMBL13765430 0.82 GLS (0.47) GLSNR1H4BRD4KDM4ASLC7A5
SCHEMBL21455594 0.82 NR1H4 (0.48) GLSNR1H4BRD4KDM4ASLC7A5
SCHEMBL6625943 0.82 MMP13 (0.51) GLSNR1H4KDM4ANAMPTHDAC1
SCHEMBL27945718 0.82 GLS (0.47) GLSNR1H4BRD4KDM4ASLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572783-B2 Obesity; N-(1-benzyl-piperidin-4-yl)-2-(2,5-dioxo-7-phenoxy-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl)-3-methyl-butyramide; modulators of ghrelin receptor (GHSR) AMGEN INC. (US) 2009-08-11 US disclosed