SCHEMBL29805135

SCHEMBL29805135

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

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 3/20 0.79
▸ NPY2R P49146 3/20 0.79
▸ NPY4R P50391 3/20 0.79
▸ ERAP2 Q6P179 2/20 0.61
▸ ERAP1 Q9NZ08 2/20 0.61
▸ LNPEP Q9UIQ6 2/20 0.61
▸ KISS1R Q969F8 9/20 0.60
▸ MC4R P32245 2/20 0.56
▸ MC1R Q01726 2/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ NPFFR1 Q9GZQ6 1/20 0.55
▸ NPFFR2 Q9Y5X5 1/20 0.55
▸ NPBWR1 P48145 1/20 0.55

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
SCHEMBL30797506 1.00 NPY1R (0.79) NPY1RNPY2RNPY4RERAP2ERAP1
SCHEMBL29392504 0.96 NPY1R (0.75) NPY1RNPY2RNPY4RERAP2ERAP1
SCHEMBL29373777 0.90 NPY1R (0.74) NPY1RNPY2RNPY4RERAP2ERAP1
SCHEMBL29390038 0.90 NPY1R (0.67) NPY1RNPY2RNPY4RERAP2ERAP1
SCHEMBL29426680 0.90 NPY1R (0.68) NPY1RNPY2RNPY4RERAP2ERAP1
SCHEMBL29738308 0.90 ERAP2 (0.73) NPY1RNPY2RNPY4RERAP2ERAP1
SCHEMBL29924773 0.90 ERAP2 (0.73) NPY1RNPY2RNPY4RERAP2ERAP1
SCHEMBL31202576 0.88 GHSR (0.66) NPY1RNPY2RNPY4R
SCHEMBL22597783 0.86 NPY1R (0.65) NPY1RNPY2RNPY4RKISS1RMC4R
SCHEMBL22597782 0.86 NPY1R (0.65) NPY1RNPY2RNPY4RKISS1RMC4R

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-20220305088-A1 METHODS AND COMPOSITIONS FOR TREATING A MICROBIAL INFECTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-09-29 — — US disclosed
US-11400136-B2 Methods and compositions for treating a microbial infection PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-08-02 — — US disclosed
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