SCHEMBL7828291

SCHEMBL7828291

CC(C)(C)CC(=O)CCN1C(=O)c2cccc(O)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.43
▸ DPP4 P27487 2/20 0.43
▸ PDE10A Q9Y233 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL410421 0.81 HPGD (0.44) ANPEPDPP4PDE10AKMT2AALDH1A1
SCHEMBL3790518 0.80 KMT2A (0.52) ANPEPDPP4PDE10AKMT2AALDH1A1
SCHEMBL31540930 0.77 ANPEP (0.55) ANPEPDPP4PDE10AKMT2AALDH1A1
SCHEMBL24776531 0.76 KMT2A (0.44) KMT2AALDH1A1HDAC8HDAC3HDAC4
SCHEMBL10909813 0.75 HEXA (0.60) ANPEPDPP4PDE10AKMT2AALDH1A1
SCHEMBL10699832 0.75 KMT2A (0.65) ANPEPDPP4KMT2AALDH1A1HDAC8
SCHEMBL14560522 0.75 ANPEP (0.52) ANPEPDPP4PDE10AKMT2AALDH1A1
SCHEMBL12235610 0.74 ANPEP (0.58) ANPEPDPP4PDE10AKMT2AALDH1A1
SCHEMBL4959465 0.73 ANPEP (0.51) ANPEPDPP4KMT2AALDH1A1MEN1
SCHEMBL7991341 0.73 ALDH1A1 (0.51) ANPEPDPP4PDE10AKMT2AALDH1A1

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-2010138585-A1 PYRIMIDINONES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 — — WO disclosed
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