SCHEMBL13715264

SCHEMBL13715264

COC(=O)[C@H](NC(=O)c1cc(Oc2ccc(F)cc2)ccc1N)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.54
HDAC1 Q13547 6/20 0.54
GCK P35557 4/20 0.53
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SCN9A Q15858 2/20 0.45
RAF1 P04049 1/20 0.44
ARAF P10398 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42

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
SCHEMBL13743935 0.89 BRAF (0.55) BRAFHDAC1GCKSCN9ARAF1
SCHEMBL13715199 0.85 BRAF (0.58) BRAFHDAC1GCKSCN9ARAF1
SCHEMBL13715181 0.84 MEN1 (0.43) BRAFHDAC1GCKMEN1GAA
Hydrochloric Acid SCHEMBL2454106 0.76 BRAF (0.57) BRAFHDAC1GCKGAARAF1
SCHEMBL5431408 0.75 TACR3 (0.54) TAS1R3TAS1R1TACR3SMN1; SMN2THRB
SCHEMBL12846985 0.75 BRAF (0.56) BRAFHDAC1GCKMEN1KMT2A
SCHEMBL4275464 0.75 GCK (0.60) BRAFHDAC1GCKRAF1ARAF
SCHEMBL31160842 0.75 KEAP1 (0.49) BRAFHDAC1GCKMEN1KMT2A
SCHEMBL13743629 0.74 NPSR1 (0.43) BRAFHDAC1GCKMEN1KMT2A
SCHEMBL12789530 0.74 BRAF (0.61) BRAFHDAC1GCKRAF1ARAF

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