SCHEMBL30390841

SCHEMBL30390841

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.58
▸ NPY1R P25929 5/20 0.58
▸ NPY2R P49146 5/20 0.58
▸ OPRM1 P35372 2/20 0.56
▸ OPRD1 P41143 2/20 0.56
▸ IL1RN P18510 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.54
▸ KISS1R Q969F8 1/20 0.54
▸ NPBWR1 P48145 1/20 0.54
▸ NPY5R Q15761 2/20 0.53

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
SCHEMBL30669192 0.98 NPY1R (0.57) NPY4RNPY1RNPY2ROPRM1OPRD1
SCHEMBL30636161 0.95 NPBWR1 (0.58) NPY4RNPY1RNPY2RKISS1RNPBWR1
SCHEMBL29440486 0.95 NPBWR1 (0.58) NPY4RNPY1RNPY2RKISS1RNPBWR1
SCHEMBL30259946 0.94 GHSR (0.51) NPY4RNPY1RNPY2ROPRM1OPRD1
SCHEMBL29416145 0.94 KISS1R (0.56) NPY4RNPY1RNPY2ROPRM1OPRD1
SCHEMBL29577231 0.94 NPY4R (0.62) NPY4RNPY1RNPY2ROPRM1OPRD1
SCHEMBL29510997 0.94 NPY1R (0.58) NPY4RNPY1RNPY2ROPRM1OPRD1
SCHEMBL29577262 0.94 NPY4R (0.62) NPY4RNPY1RNPY2ROPRM1OPRD1
SCHEMBL30272481 0.93 KISS1R (0.57) NPY4RNPY1RNPY2ROPRD1KISS1R
SCHEMBL31206184 0.93 KISS1R (0.55) OPRM1OPRD1KISS1R

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-20230137562-A1 TAU AGGREGATION INHIBITORS ADRX, INC. 2023-05-04 — — US disclosed
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