SCHEMBL9341191

SCHEMBL9341191

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ TFPI P10646 1/20 0.51
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ IL23R Q5VWK5 9/20 0.47
▸ GRIA1 P42261 1/20 0.46
▸ GNPAT O15228 1/20 0.46

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
SCHEMBL9341200 0.94 BACE1 (0.52) NPY1RNPY2RNPY4RTFPIITGB3
SCHEMBL9341178 0.94 BACE1 (0.52) NPY1RNPY2RNPY4RTFPIITGB3
SCHEMBL24739787 0.90 CASP1 (0.53) NPY1RNPY2RNPY4RITGB3ITGA2B
SCHEMBL26655866 0.90 CASP1 (0.53) NPY1RNPY2RNPY4RITGB3ITGA2B
SCHEMBL29719638 0.90 NAALAD2 (0.54) NPY1RNPY2RNPY4RTFPIITGB3
SCHEMBL29611494 0.88 BACE1 (0.58) TFPICASP1BACE1BACE2IL23R
SCHEMBL29719639 0.88 NAALAD2 (0.54) NPY1RNPY2RNPY4RTFPIITGB3
SCHEMBL30578956 0.88 OPRD1 (0.55) NPY1RNPY2RNPY4RBACE1BACE2
SCHEMBL29719451 0.87 GNPAT (0.56) NPY1RNPY2RNPY4RTFPIITGB3
SCHEMBL29974829 0.86 F2 (0.52) TFPIBACE1BACE2IL23R

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-0307553-B1 Modified splenopentines, their process of preparation and their use BERLIN CHEMIE AG (DE) 1994-06-15 — — EP claimed
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