SCHEMBL13715394

SCHEMBL13715394

CC(C)[C@H](C)NC(=O)c1cc(Oc2ccc(F)cc2)ccc1NC(=O)CCl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GCK P35557 2/20 0.39
▸ BRAF P15056 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ RNF4 P78317 1/20 0.39
▸ PTGER4 P35408 4/20 0.38
▸ PTGER2 P43116 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AR P10275 1/20 0.36
▸ SCN9A Q15858 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
SCHEMBL13743721 0.89 MAPK1 (0.42) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL13715199 0.78 BRAF (0.58) GCKBRAFHDAC1PTGER4PTGER2
SCHEMBL13715272 0.74 SMN1; SMN2 (0.44) ALDH1A1HTTMAPK1GCKBRAF
SCHEMBL13748324 0.66 SERPINE1 (0.57) ALDH1A1HTTBRAFHDAC1
SCHEMBL13743935 0.66 BRAF (0.55) MAPK1GCKBRAFHDAC1PTGER4
SCHEMBL13715264 0.65 BRAF (0.54) GCKBRAFHDAC1SMN1; SMN2SCN9A
SCHEMBL24568246 0.65 CES2 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL5913136 0.65 ALDH1A1 (0.51) ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL29678316 0.65 ALDH1A1 (0.51) ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL1946930 0.65 ALDH1A1 (0.71) ALDH1A1HTTMITFPOLBMAPK1

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
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