SCHEMBL7985658

SCHEMBL7985658

CC(C)(C)OC(=O)N1C2CCC1c1cn(CC(=O)O)nc1C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTT P42858 2/20 0.38
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.36
PREP P48147 4/20 0.36
HSD11B1 P28845 1/20 0.35
GPR119 Q8TDV5 4/20 0.33
STS P08842 1/20 0.33
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ABCB1 P08183 1/20 0.32
JAK1 P23458 2/20 0.31

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
SCHEMBL7993429 0.87 CHRM2 (0.36) CHRM2CHRM1CHRM3GAAPREP
SCHEMBL7985907 0.78 L3MBTL1 (0.38) CHRM1GAAJAK1
SCHEMBL7989148 0.75 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL31692475 0.75 CHRM2 (0.43) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL31692322 0.75 CHRM2 (0.43) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL30390991 0.72 CHRM2 (0.41) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL30296373 0.72 CHRM2 (0.41) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL11367993 0.72 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL23245598 0.70 CHRM2 (0.56) CHRM2CHRM1CHRM3PREPHSD11B1
SCHEMBL7986925 0.70 CHRM2 (0.39) CHRM2CHRM1CHRM3PREPHSD11B1

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed