SCHEMBL902132

SCHEMBL902132

C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
GAA P10253 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.56
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA12 O43570 6/20 0.47
CA9 Q16790 6/20 0.47
CA7 P43166 1/20 0.46
CAPN1 P07384 1/20 0.45
CTSK P43235 4/20 0.44
CTSS P25774 3/20 0.43
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
CYP2D6 P10635 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL6517345 1.00 MEN1 (0.66) MEN1GAAKMT2ATDP1MAOA
SCHEMBL10140672 0.95 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL902008 0.95 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6837317 0.94 TDP1 (0.61) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13055386 0.90 MEN1 (0.56) MEN1GAAKMT2ATDP1MAOA
SCHEMBL26496672 0.85 MEN1 (0.47) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14405152 0.84 MEN1 (0.72) MEN1GAAKMT2ATDP1MAOA
SCHEMBL30299126 0.84 TDP1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL19301000 0.84 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL24687980 0.83 TDP1 (0.50) MEN1GAAKMT2ATDP1CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484720-A A kind of antihypertensive active peptide Orn-Pro-Hyp and application and pharmaceutical composition 南京大学 2018-09-04 CN disclosed
EP-2621919-A1 PHENYLQUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2013-08-07 EP disclosed
WO-2012041435-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed