SCHEMBL4692984

SCHEMBL4692984

CN(CCCCO)C(=O)c1cn2c(nc3ccc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)cc32)s1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 4/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4692988 0.94 GRM1 (0.41) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4693604 0.93 GRM1 (0.53) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL5539879 0.90 GRM1 (0.41) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4691968 0.88 GRM1 (0.42) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4693608 0.88 GRM1 (0.46) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4689299 0.88 GRM1 (0.45) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4692243 0.88 GRM1 (0.46) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4692237 0.88 GRM1 (0.46) GRM1MEN1KMT2AL3MBTL1GAA
SCHEMBL4694653 0.85 GRM1 (0.43) GRM1MEN1KMT2AGAATP53
SCHEMBL5544676 0.84 GRM1 (0.47) GRM1MEN1KMT2AGAA

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-1486501-B1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-09-10 EP disclosed