SCHEMBL8771956

SCHEMBL8771956

CSc1ccc(OCC(C)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)C(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
GPR88 Q9GZN0 1/20 0.31
SLC6A4 P31645 2/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ADAM17 P78536 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 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
SCHEMBL8772017 0.84 MMP2 (0.46) MAOBMAPTHPGDGPR119ADRB3
SCHEMBL8772008 0.83 GPR119 (0.40) MAOBGPR119ADRB3
SCHEMBL8771998 0.83 GAA (0.44) MAOBMAPTSMN1; SMN2GAASLC6A4
SCHEMBL8771782 0.83 ADRB3 (0.31) GPR88ADRB3
SCHEMBL8772011 0.81 MTNR1A (0.33) HPGDKMT2A
SCHEMBL8771907 0.77 TSHR (0.37) GHSRPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL8772004 0.76 MMP2 (0.45) MAOBMAPTHPGD
SCHEMBL8771913 0.76 MMP2 (0.46) MAOBMAPTHPGD
SCHEMBL8772001 0.76 TSHR (0.32) NPSR1KDM4EGAAHPGD
SCHEMBL8771761 0.75 MMP2 (0.44) MAOBMAPTHPGDGPR119RAB9A

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
EP-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed