SCHEMBL17104263

SCHEMBL17104263

Cc1c(NC=O)c(C)n(CC(=O)N(C)C2CCNCC2)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
MEN1 O00255 1/20 0.33
NPBWR1 P48145 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
SLC6A4 P31645 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL17104265 0.82 CHRM1 (0.34) CHRM1MEN1NPBWR1KMT2AGRIN1
SCHEMBL1313862 0.80 ALOX15 (0.36) CHRM1
SCHEMBL1313248 0.77 NOTUM (0.31)
SCHEMBL1313749 0.65
SCHEMBL615680 0.65 SLC6A4 (0.43) CHRM1SLC6A4ALDH1A1SIGMAR1
SCHEMBL1313864 0.64 ALOX15 (0.37) CHRM1
SCHEMBL4157539 0.64 CHRM1 (0.41) CHRM1SLC6A4ALDH1A1SIGMAR1
SCHEMBL1313859 0.62 PYGL (0.41) CHRM1MEN1KMT2ASLC6A4
SCHEMBL4216794 0.62 SLC6A4 (0.36) CHRM1MEN1KMT2ASLC6A4ALDH1A1
SCHEMBL4205032 0.62 SLC6A4 (0.36) CHRM1MEN1KMT2ASLC6A4ALDH1A1

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-2292613-B1 DIHYDROINDOLINONE DERIVATIVES SHANGHAI INST PHARM INDUSTRY (CN) 2015-09-30 EP disclosed