SCHEMBL29683171

SCHEMBL29683171

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 4/20 0.62
▸ CAPN1 P07384 2/20 0.57
▸ CTSB P07858 2/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ SLC6A2 P23975 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
SCHEMBL29471736 0.90 SLC6A2 (0.63) CAPN1CTSBOPRM1SLC6A2
SCHEMBL29350618 0.90 SLC6A2 (0.63) CAPN1CTSBOPRM1SLC6A2
Endomorphin-1 SCHEMBL29379764 0.88 — —
Endomorphin-1 SCHEMBL29390342 0.88 — —
Endomorphin-1 SCHEMBL21811384 0.88 — —
Endomorphin-1 SCHEMBL29577928 0.88 — —
SCHEMBL31331997 0.87 KISS1R (0.62) KISS1R
SCHEMBL31468796 0.87 KISS1R (0.64) KISS1R
SCHEMBL31410855 0.86 KISS1R (0.65) KISS1R
SCHEMBL30949450 0.86 SLC6A2 (0.61) KISS1RCAPN1CTSBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186177-B Duck blood cell protein peptide with uric acid reducing activity and preparation method thereof 中国农业大学 2024-08-23 — — CN disclosed
CN-116203143-B Marker composition for hemoglobinopathy, screening reagent and application thereof 重庆医科大学附属儿童医院 2024-01-05 — — CN disclosed
CN-117186177-A Duck blood cell protein peptide with uric acid reducing activity and preparation method thereof 中国农业大学 2023-12-08 — — CN disclosed
CN-116203144-B Method for determining chain ratio of various globin in hemoglobin and application thereof 重庆医科大学附属儿童医院 2023-10-27 — — CN disclosed
CN-116203143-A Marker composition for hemoglobinopathy, screening reagent and application thereof 重庆医科大学附属儿童医院 2023-06-02 — — CN disclosed
CN-116203144-A Method for determining chain ratio of various globin in hemoglobin and application thereof 重庆医科大学附属儿童医院 2023-06-02 — — CN disclosed
CN-113214386-B Polypeptide marker for early diagnosis of diabetes and application thereof 北京理工大学 2022-07-05 — — CN disclosed
CN-113180046-B Application of insecticidal protein in preventing and treating aphids 中国农业科学院植物保护研究所 2022-04-12 — — CN disclosed
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