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Sugi Predict / Compounds / SCHEMBL29963415

SCHEMBL29963415

SCHEMBL29963415

CSCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.67
▸ APLNR P35414 2/20 0.65
▸ GLP1R P43220 8/20 0.64
▸ GCGR P47871 8/20 0.64
▸ GIPR P48546 5/20 0.61
▸ F2 P00734 2/20 0.60
▸ TFPI P10646 1/20 0.60
▸ KEAP1 Q14145 1/20 0.60
▸ C5AR1 P21730 1/20 0.60

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
SCHEMBL29446772 1.00 CALCR (0.67) CALCRAPLNRGLP1RGCGRGIPR
SCHEMBL30276691 0.99 CALCR (0.68) CALCRAPLNRGLP1RGCGRF2
SCHEMBL30446021 0.98 CALCR (0.68) CALCRAPLNRGLP1RGCGRF2
SCHEMBL30185050 0.92 APLNR (0.62) CALCRAPLNRGLP1RGCGRF2
SCHEMBL31182915 0.91 CALCR (0.72) CALCRGLP1RGCGRGIPRF2
SCHEMBL31182794 0.91 APLNR (0.64) CALCRAPLNRGLP1RGCGRF2
SCHEMBL29446761 0.91 APLNR (0.62) CALCRAPLNRGLP1RGCGRF2
SCHEMBL30524357 0.90 APLNR (0.67) CALCRAPLNRGLP1RGCGRGIPR
SCHEMBL30884870 0.90 CALCR (0.75) CALCRGLP1RGCGRGIPRKEAP1
SCHEMBL30358206 0.90 CALCR (0.70) CALCRAPLNRGLP1RGCGRTFPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114222753-B Polypeptide medicine for preventing and/or treating neuroblastoma and application thereof 珠海市藤栢医药有限公司 2022-10-04 — — CN claimed
CN-115737833-A Camptothecin polypeptide antitumor drug conjugate and preparation method and application thereof 苏州久蓝生物医药有限公司 2023-03-07 — — CN disclosed
CN-114222580-B Polypeptide medicine for preventing and/or treating ovarian cancer and application thereof 珠海市藤栢医药有限公司 2022-12-06 — — CN disclosed
CN-114222580-B Polypeptide medicine for preventing and/or treating ovarian cancer and application thereof 珠海市藤栢医药有限公司 2022-12-06 — — CN disclosed
CN-114222753-B Polypeptide medicine for preventing and/or treating neuroblastoma and application thereof 珠海市藤栢医药有限公司 2022-10-04 — — CN disclosed
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