SCHEMBL7398552

SCHEMBL7398552

COC(=O)[C@@](C)(CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 4/20 0.37
CA12 O43570 4/20 0.37
CA14 Q9ULX7 2/20 0.37
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CA1 P00915 4/20 0.35
CA7 P43166 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PTPRB P23467 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL28277578 0.93 MEN1 (0.41) DGAT1MEN1GAAKMT2ATDP1
SCHEMBL28277576 0.93 MEN1 (0.41) DGAT1MEN1GAAKMT2ATDP1
SCHEMBL16394247 0.87 MEN1 (0.42) MEN1GAAKMT2ATDP1CA2
SCHEMBL16394248 0.87 MEN1 (0.42) MEN1GAAKMT2ATDP1CA2
SCHEMBL3180767 0.81 DGAT1 (0.47) DGAT1MEN1GAAKMT2ATDP1
SCHEMBL3936414 0.81 DGAT1 (0.47) DGAT1MEN1GAAKMT2ATDP1
SCHEMBL4549806 0.81 DGAT1 (0.47) DGAT1MEN1GAAKMT2ATDP1
SCHEMBL31239054 0.81 DGAT1 (0.40) DGAT1MEN1GAAKMT2ATDP1
SCHEMBL28682013 0.79 DGAT1 (0.45) DGAT1MEN1GAAKMT2ATDP1
SCHEMBL28682014 0.79 DGAT1 (0.45) DGAT1MEN1GAAKMT2ATDP1

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
EP-1183238-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 WO disclosed