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SCHEMBL29533726

SCHEMBL29533726

N=C(N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 4/20 0.55
▸ CCKAR P32238 2/20 0.55
▸ IL23R Q5VWK5 4/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ MC4R P32245 2/20 0.52
▸ KISS1R Q969F8 3/20 0.52
▸ NPY1R P25929 3/20 0.52
▸ NPY2R P49146 3/20 0.52
▸ NPY4R P50391 3/20 0.52

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
SCHEMBL29968155 1.00 CCKBR (0.55) CCKBRCCKARIL23ROPRD1MC4R
SCHEMBL29419497 0.96 CCKBR (0.55) CCKBRCCKARIL23ROPRD1MC4R
SCHEMBL29784960 0.95 MC4R (0.52) CCKBRCCKAROPRD1MC4RKISS1R
SCHEMBL30464843 0.93 MC4R (0.55) OPRD1MC4RKISS1R
SCHEMBL31541507 0.93 KISS1R (0.56) CCKBRCCKARIL23ROPRD1KISS1R
SCHEMBL7592892 0.93 KISS1R (0.60) KISS1R
SCHEMBL30997451 0.91 MMP1 (0.51) OPRD1NPY1RNPY2RNPY4R
SCHEMBL31074791 0.91 MMP1 (0.51) OPRD1NPY1RNPY2RNPY4R
SCHEMBL30919247 0.91 OPRD1 (0.57) CCKBRCCKARIL23ROPRD1MC4R
SCHEMBL30464858 0.91 MC4R (0.52) OPRD1MC4RKISS1RNPY1RNPY2R

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-20220133839-A1 PEPTIDE ANALOGUES WITH BRANCHED AMINO ACID PROBE(S) TXP PHARMA GMBH (CH) 2022-05-05 — — US disclosed
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