SCHEMBL5162891

SCHEMBL5162891

CN(C)c1ccc(NC(=O)[C@H](CNC(=O)O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL5160878 0.87 ALDH1A1 (0.47) ALDH1A1CRHBPCRHR2SMN1; SMN2KMT2A
SCHEMBL5163056 0.85 ALDH1A1 (0.51) ALDH1A1CRHBPCRHR2SMN1; SMN2KMT2A
SCHEMBL5157860 0.85 ALDH1A1 (0.48) ALDH1A1CRHBPCRHR2SMN1; SMN2KMT2A
SCHEMBL5160354 0.83 MEN1 (0.59) ALDH1A1KMT2ANPC1RAB9AHDAC1
SCHEMBL5157981 0.83 ALDH1A1 (0.44) ALDH1A1CRHBPCRHR2SMN1; SMN2KMT2A
SCHEMBL23320094 0.78 ALDH1A1 (0.49) ALDH1A1CRHBPCRHR2SMN1; SMN2KMT2A
SCHEMBL29522596 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5586246 0.73 ALDH1A1 (0.62) ALDH1A1CRHBPCRHR2SMN1; SMN2KMT2A
SCHEMBL20773139 0.72 CTSD (0.55) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5526073 0.72 CTSK (0.62) KMT2AMEN1

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-1753733-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES Avanir Pharmaceuticals (US) 2007-02-21 EP disclosed
WO-2005123700-A1 SMALL MOLECULES FOR TREATMENT OF HYPERCHOLESTEROLEMIA AND RELATED DISEASES AVANIR PHARMACEUTICALS (US) 2005-12-29 WO disclosed