SCHEMBL29721606

SCHEMBL29721606

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.57
▸ IL23R Q5VWK5 6/20 0.54
▸ NPY5R Q15761 3/20 0.53
▸ NPY1R P25929 2/20 0.53
▸ NPY4R P50391 2/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ GLP1R P43220 1/20 0.50
▸ GCGR P47871 1/20 0.50
▸ GIPR P48546 1/20 0.50

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
SCHEMBL31410873 0.94 TFPI (0.59) TFPINPY5RNPY1RNPY4ROPRM1
SCHEMBL30819888 0.92 OPRM1 (0.57) TFPIIL23RNPY5RNPY1RNPY4R
SCHEMBL30880895 0.91 OPRM1 (0.60) TFPIIL23RNPY5RNPY1RNPY4R
SCHEMBL31688341 0.90 TFPI (0.64) TFPIIL23ROPRM1OPRD1OPRK1
SCHEMBL30317558 0.90 TFPI (0.54) TFPIIL23RNPY5RNPY1RNPY4R
SCHEMBL29939606 0.89 NPY4R (0.59) TFPIIL23RNPY5RNPY1RNPY4R
SCHEMBL30887556 0.87 TFPI (0.65) TFPIIL23RGLP1RGCGRGIPR
SCHEMBL30880902 0.86 OPRM1 (0.63) TFPIIL23RNPY5RNPY1RNPY4R
SCHEMBL30569208 0.85 TFPI (0.59) TFPIIL23RNPY5RNPY1RNPY4R
SCHEMBL31145953 0.85 TFPI (0.59) TFPIIL23ROPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380892-A Characteristic peptide segment of goat horn and detection method thereof 南京中医药大学 2022-04-22 — — CN claimed
CN-114380892-B Goat horn characteristic peptide fragment and detection method thereof 南京中医药大学 2024-03-12 — — CN disclosed
CN-114380892-A Characteristic peptide segment of goat horn and detection method thereof 南京中医药大学 2022-04-22 — — CN disclosed
CN-114380892-A Characteristic peptide segment of goat horn and detection method thereof 南京中医药大学 2022-04-22 — — CN disclosed
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