SCHEMBL11569779

SCHEMBL11569779

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.58
OPRM1 P35372 3/20 0.54
OPRD1 P41143 3/20 0.54
BACE1 P56817 2/20 0.52
BACE2 Q9Y5Z0 2/20 0.52
CASP1 P29466 1/20 0.51
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
NPY4R P50391 1/20 0.49
ACE P12821 2/20 0.49
REN P00797 1/20 0.47
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MME P08473 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 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
SCHEMBL11569755 1.00 FOLH1 (0.58) FOLH1OPRM1OPRD1BACE1BACE2
SCHEMBL30123119 0.86 OPRD1 (0.66) OPRM1OPRD1BACE1BACE2OPRK1
SCHEMBL30073211 0.85 FOLH1 (0.65) FOLH1OPRM1OPRD1NPY1RNPY2R
SCHEMBL7752844 0.85 CASP1 (0.55) FOLH1OPRD1BACE1BACE2CASP1
SCHEMBL29886195 0.84 BACE1 (0.55) OPRM1OPRD1BACE1BACE2REN
SCHEMBL30423308 0.84 FOLH1 (0.71) FOLH1NPY1RNPY2RNPY4RACE
SCHEMBL30845367 0.84 FOLH1 (0.71) FOLH1NPY1RNPY2RNPY4RACE
SCHEMBL22498360 0.84 FOLH1 (0.71) FOLH1NPY1RNPY2RNPY4RACE
SCHEMBL8332107 0.84 FOLH1 (0.58) FOLH1OPRM1OPRD1BACE1BACE2
SCHEMBL8332105 0.84 FOLH1 (0.58) FOLH1OPRM1OPRD1BACE1BACE2

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
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed