SCHEMBL30690149

SCHEMBL30690149

C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 15/20 0.59
▸ NPY1R P25929 9/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY2R P49146 5/20 0.59
▸ OPRM1 P35372 1/20 0.50
▸ OPRD1 P41143 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ KEAP1 Q14145 2/20 0.50
▸ IL23R Q5VWK5 1/20 0.48

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
SCHEMBL30690150 0.93 IL23R (0.53) NPY4RNPY1RNPY5RNPY2RIL23R
SCHEMBL30669459 0.90 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL29531145 0.88 OPRD1 (0.54) NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL30123228 0.88 NPY4R (0.59) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29839266 0.88 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL30213828 0.88 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2ROPRD1
SCHEMBL29558352 0.88 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2ROPRM1
SCHEMBL31013834 0.87 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL30354440 0.87 NPY4R (0.57) NPY4RNPY1RNPY5RNPY2RKEAP1
SCHEMBL30420677 0.86 NPY4R (0.66) NPY4RNPY1RNPY5RNPY2ROPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117106022-A Heptapeptide compounds, compositions and uses thereof 深圳市维琪科技股份有限公司 2023-11-24 — — CN claimed
CN-117106022-B Heptapeptide compounds, compositions and uses thereof 深圳市维琪科技股份有限公司 2024-01-23 — — CN disclosed
CN-117106022-A Heptapeptide compounds, compositions and uses thereof 深圳市维琪科技股份有限公司 2023-11-24 — — CN disclosed
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