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SCHEMBL30710208

SCHEMBL30710208

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 4/20 0.51
▸ NPY1R P25929 3/20 0.51
▸ NPY2R P49146 3/20 0.51
▸ KISS1R Q969F8 13/20 0.48
▸ OPRD1 P41143 1/20 0.47
▸ F2 P00734 2/20 0.46
▸ NPY5R Q15761 2/20 0.46

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
SCHEMBL30710217 0.93 BACE1 (0.52) NPY4RNPY1RNPY2RKISS1RF2
SCHEMBL29815237 0.89 NPY4R (0.51) NPY4RNPY1RNPY2RKISS1ROPRD1
SCHEMBL29993760 0.89 NPY4R (0.53) NPY4RNPY1RNPY2RKISS1ROPRD1
SCHEMBL30827584 0.88 BACE1 (0.51) NPY4RNPY1RNPY2ROPRD1F2
SCHEMBL31513110 0.88 NPY1R (0.52) NPY4RNPY1RNPY2RKISS1R
SCHEMBL30400489 0.88 NPY4R (0.52) NPY4RNPY1RNPY2ROPRD1NPY5R
SCHEMBL31122840 0.88 NAALAD2 (0.45) NPY4RNPY1RNPY2R
SCHEMBL30827586 0.87 BACE1 (0.55) F2
SCHEMBL30927574 0.87 NPY1R (0.50) NPY4RNPY1RNPY2RKISS1ROPRD1
SCHEMBL30034864 0.86 NPY1R (0.53) NPY4RNPY1RNPY2ROPRD1

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-4525862-A1 COMPOSITIONS AND FORMULATIONS FOR USE OF A PK INHIBITOR FOR THE PREVENTION, TREATMENT, AND IMPROVEMENT OF SKIN DISEASES, CONDITIONS, AND DISORDERS Dermbiont, Inc. (US) 2025-03-26 — — EP disclosed
WO-2023225373-A1 COMPOSITIONS AND FORMULATIONS FOR USE OF A PK INHIBITOR FOR THE PREVENTION, TREATMENT, AND IMPROVEMENT OF SKIN DISEASES, CONDITIONS, AND DISORDERS DERMBIONT, INC. (US) 2023-11-23 — — WO disclosed
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