SCHEMBL29533720

SCHEMBL29533720

CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 2/20 0.56
▸ GNPAT O15228 1/20 0.53
▸ ENPEP Q07075 3/20 0.47
▸ ACE P12821 3/20 0.47
▸ CPA1 P15085 3/20 0.47
▸ MME P08473 2/20 0.47
▸ ACE2 Q9BYF1 2/20 0.47
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ KISS1R Q969F8 1/20 0.44
▸ CPA2 P48052 1/20 0.44
▸ CPA4 Q9UI42 1/20 0.44
▸ FOLH1 Q04609 3/20 0.43
▸ CCKBR P32239 2/20 0.43
▸ OPRD1 P41143 2/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ CCKAR P32238 1/20 0.43

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
SCHEMBL29533279 0.90 NAALAD2 (0.54) NAALAD2ENPEPACECPA1MME
SCHEMBL29533650 0.87 NAALAD2 (0.55) NAALAD2GNPATACECPA1CPA2
SCHEMBL17192787 0.85 GNPAT (0.64) NAALAD2GNPATCPA1MMECPA2
SCHEMBL30405505 0.84 NPY4R (0.55) NPY1RNPY2RNPY4RKISS1R
SCHEMBL30800877 0.84 GNPAT (0.54) GNPATENPEPACECPA1MME
SCHEMBL29533903 0.83 ENPEP (0.55) GNPATENPEPACECPA1MME
SCHEMBL30073136 0.82 GNPAT (0.55) GNPATENPEPACECPA1MME
SCHEMBL29719639 0.82 NAALAD2 (0.54) NAALAD2GNPATNPY1RNPY2RNPY4R
SCHEMBL24989203 0.82 FOLH1 (0.61) NAALAD2GNPATACECPA1MME
SCHEMBL29586972 0.81 ITGB3 (0.56) NAALAD2GNPATACECPA1MME

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-20220133839-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2022-05-05 — — US disclosed
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