SCHEMBL9544871

SCHEMBL9544871

CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.48
PRMT5 O14744 4/20 0.41
WDR77 Q9BQA1 4/20 0.41
OPRD1 P41143 1/20 0.41
NAMPT P43490 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC8 Q9BY41 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
SCHEMBL9543600 1.00 HTRA1 (0.48) HTRA1PRMT5WDR77OPRD1NAMPT
SCHEMBL9542668 0.89 HTRA1 (0.39) HTRA1OPRD1NAMPT
SCHEMBL9542442 0.89 HTRA1 (0.39) HTRA1OPRD1NAMPT
SCHEMBL9545311 0.85 PRMT5 (0.39) PRMT5WDR77OPRD1NAMPTKMT2A
SCHEMBL5064869 0.84 OPRD1 (0.49) PRMT5WDR77OPRD1NAMPTMEN1
SCHEMBL4595926 0.84 OPRD1 (0.49) PRMT5WDR77OPRD1NAMPTMEN1
SCHEMBL29163531 0.84 OPRD1 (0.49) PRMT5WDR77OPRD1NAMPTMEN1
SCHEMBL29401750 0.84 OPRD1 (0.49) PRMT5WDR77OPRD1NAMPTMEN1
SCHEMBL9544935 0.82 HTRA1 (0.34) HTRA1
SCHEMBL9544848 0.82 UCHL1 (0.55) OPRD1MEN1KMT2AHDAC8

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
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed