SCHEMBL29414549

SCHEMBL29414549

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.61
▸ NPY1R P25929 3/20 0.58
▸ NPY2R P49146 3/20 0.58
▸ NPY4R P50391 3/20 0.58
▸ KISS1R Q969F8 5/20 0.58
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ IL23R Q5VWK5 1/20 0.56

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
SCHEMBL29390382 0.95 GHSR (0.64) GHSR
SCHEMBL29365946 0.95 GHSR (0.64) GHSR
SCHEMBL31619559 0.95 GHSR (0.61) GHSRNPY1RNPY2RNPY4RKISS1R
SCHEMBL29405009 0.95 GHSR (0.61) GHSRNPY1RNPY2RNPY4RKISS1R
SCHEMBL30662387 0.94 IL23R (0.62) GHSRNPY1RNPY2RNPY4RKISS1R
SCHEMBL29359135 0.94 KISS1R (0.62) GHSRNPY1RNPY2RNPY4RKISS1R
SCHEMBL30380456 0.94 IL23R (0.64) GHSRKISS1RIL23R
SCHEMBL30513340 0.94 IL23R (0.64) GHSRKISS1RIL23R
SCHEMBL29872066 0.94 IL23R (0.64) GHSRKISS1RIL23R
SCHEMBL29433930 0.94 IL23R (0.64) GHSRKISS1RIL23R

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
EP-3965751-A1 PARA-AMINOHIPPURIC ACID (PAH) AS A RENAL PROTECTIVE SUBSTANCE ITM Isotope Technologies Munich SE (DE) 2022-03-16 — — EP disclosed
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