SCHEMBL29630734

SCHEMBL29630734

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.54
▸ ENPEP Q07075 5/20 0.50
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ NPY1R P25929 2/20 0.46
▸ NPY2R P49146 2/20 0.46
▸ NPY4R P50391 2/20 0.46
▸ NPY5R Q15761 1/20 0.46
▸ MME P08473 2/20 0.46
▸ CHRND Q07001 6/20 0.45
▸ CHRNA1 P02708 2/20 0.45
▸ CHRNG P07510 2/20 0.45
▸ CHRNB1 P11230 2/20 0.45
▸ ACE P12821 2/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL29630542 0.99 NAALAD2 (0.55) NAALAD2ENPEPPTPN2PTPN1NPY1R
SCHEMBL30468673 0.96 NAALAD2 (0.55) NAALAD2ENPEPPTPN2PTPN1NPY1R
SCHEMBL29707527 0.96 NAALAD2 (0.55) NAALAD2ENPEPPTPN2PTPN1NPY1R
SCHEMBL29591506 0.94 NAALAD2 (0.48) NAALAD2ENPEPPTPN2PTPN1NPY1R
SCHEMBL29630551 0.91 NAALAD2 (0.50) NAALAD2ENPEPCHRNDCHRNA1CHRNG
SCHEMBL29707530 0.89 CHRND (0.47) NAALAD2NPY1RNPY2RNPY4RNPY5R
SCHEMBL30468670 0.89 CHRND (0.47) NAALAD2NPY1RNPY2RNPY4RNPY5R
SCHEMBL29592666 0.89 NPY5R (0.49) NPY1RNPY2RNPY4RNPY5R
SCHEMBL29822475 0.88 MME (0.56) NAALAD2ENPEPMMECHRNDCHRNA1
SCHEMBL31198202 0.87 MEN1 (0.52) NAALAD2ENPEPPTPN2PTPN1MME

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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