SCHEMBL12184052

SCHEMBL12184052

Cc1ccc(-c2cc(C3CN(C(=O)OC(C)(C)C)C(CCc4ccccc4)CO3)n(-c3ncccn3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 5/20 0.42
▸ DPP4 P27487 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NPC1L1 Q9UHC9 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ ABHD6 Q9BV23 1/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14749309 0.94 PRCP (0.49) PRCPNR1H2SMN1; SMN2MAPT
SCHEMBL14749290 0.88 PRCP (0.47) PRCPDPP4NR1H2SMN1; SMN2TDP1
SCHEMBL14736703 0.82 PRCP (0.55) PRCPSMN1; SMN2LMNAPOLBMAPT
SCHEMBL12183894 0.81 PRCP (0.51) PRCPNR1H2LMNATP53GPR119
SCHEMBL14749311 0.79 PRCP (0.49) PRCPNR1H2LMNATP53GPR119
SCHEMBL12183915 0.75 PRCP (0.43) PRCPNR1H2SMN1; SMN2LMNAPOLB
SCHEMBL14749293 0.75 PRCP (0.49) PRCPSMN1; SMN2TDP1LMNAPOLB
SCHEMBL2597820 0.72 KLK7 (0.41) NR1H2SMN1; SMN2KLK7
SCHEMBL2597852 0.71 KLK7 (0.41) NR1H2SMN1; SMN2MEN1KMT2AKLK7
SCHEMBL14749302 0.69 PRCP (0.48) PRCPSMN1; SMN2LMNAPOLBMAPT

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-2011146354-A1 NOVEL PROLYLCARBOXYPEPTIDASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-11-24 — — WO disclosed
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