SCHEMBL2669764

SCHEMBL2669764

CCCC(CCC)C(Nc1ccc(C(=O)NCCC(=O)O)cc1)C1Cc2ccccc2S1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.44
GCG P01275 8/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL2669880 0.86 GCGR (0.47) GCGRGCGNAMPT
SCHEMBL2669876 0.69 GCGR (0.47) GCGRGCG
SCHEMBL2669757 0.68 GCGR (0.63) GCGRGCG
SCHEMBL2669798 0.66 GCG (0.48) GCGRGCG
SCHEMBL2669988 0.66 GCGR (0.43) GCGRGCG
SCHEMBL2669985 0.64 GCGR (0.47) GCGRGCG
SCHEMBL11900276 0.64 GCG (0.52) GCGRGCG
Betamipron SCHEMBL605899 0.63 PRSS1 (0.70) SMN1; SMN2
Betamipron SCHEMBL4498475 0.63 PRSS1 (0.70) SMN1; SMN2
SCHEMBL9717434 0.63 MAPK1 (0.71) MAPTSMN1; SMN2

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
WO-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed