SCHEMBL29794196

SCHEMBL29794196

N=C(N)NCCC[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 3/20 0.56
▸ NPY4R P50391 6/20 0.55
▸ NPY1R P25929 5/20 0.55
▸ NPY2R P49146 5/20 0.55
▸ KISS1R Q969F8 1/20 0.50
▸ MC4R P32245 2/20 0.49
▸ NPY5R Q15761 2/20 0.49
▸ CTSC P53634 1/20 0.49
▸ ANPEP P15144 1/20 0.49
▸ IL1RN P18510 1/20 0.49
▸ ERAP2 Q6P179 1/20 0.49
▸ ERAP1 Q9NZ08 1/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49

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
SCHEMBL29794114 1.00 ECE1 (0.56) ECE1NPY4RNPY1RNPY2RKISS1R
SCHEMBL29540094 1.00 ECE1 (0.56) ECE1NPY4RNPY1RNPY2RKISS1R
SCHEMBL31193767 0.96 NPY4R (0.60) ECE1NPY4RNPY1RNPY2RKISS1R
SCHEMBL31193750 0.94 NPY4R (0.58) ECE1NPY4RNPY1RNPY2RKISS1R
SCHEMBL22133204 0.94 NPY1R (0.59) NPY4RNPY1RNPY2RKISS1RMC4R
SCHEMBL30464853 0.94 NPY1R (0.59) NPY4RNPY1RNPY2RKISS1RMC4R
SCHEMBL31074779 0.93 ACE (0.58) ECE1ERAP2ERAP1LNPEP
SCHEMBL9852014 0.93 ACE (0.58) ECE1ERAP2ERAP1LNPEP
SCHEMBL5326395 0.93 ACE (0.58) ECE1ERAP2ERAP1LNPEP
SCHEMBL30773914 0.93 GHSR (0.57) NPY4RNPY1RNPY2RNPY5R

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
EP-4041748-A1 PEPTIDE COMPOUNDS FOR REDUCING SIDE EFFECTS OF CB1 RECEPTOR AGONISTS Universitat de Barcelona (ES) 2022-08-17 — — EP claimed
EP-4041748-A1 PEPTIDE COMPOUNDS FOR REDUCING SIDE EFFECTS OF CB1 RECEPTOR AGONISTS Universitat de Barcelona (ES) 2022-08-17 — — EP disclosed
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