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SCHEMBL29913894

SCHEMBL29913894

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.61
▸ VIPR2 P41587 6/20 0.59
▸ GLP1R P43220 3/20 0.56
▸ GCGR P47871 1/20 0.56
▸ GIPR P48546 1/20 0.56
▸ CCKBR P32239 1/20 0.55
▸ KISS1R Q969F8 4/20 0.55
▸ ECE1 P42892 1/20 0.54
▸ MUS81 Q96NY9 1/20 0.54
▸ BACE1 P56817 1/20 0.54
▸ CALCR P30988 1/20 0.53

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
SCHEMBL30726538 0.92 GLP1R (0.58) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL30906402 0.92 VIPR1 (0.61) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL29430211 0.90 VIPR1 (0.67) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL31182908 0.90 VIPR1 (0.65) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL30480570 0.90 VIPR1 (0.66) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL29827468 0.90 VIPR1 (0.65) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL29854527 0.89 VIPR1 (0.65) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL30038758 0.89 VIPR1 (0.63) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL30648493 0.89 GLP1R (0.58) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL38665420 0.89 GLP1R (0.58) VIPR1VIPR2GLP1RGCGRGIPR

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
US-20240150807-A1 Method for Producing Cysteine Knot Protein Sumitomo Pharma Co., Ltd. (JP) 2024-05-09 — — US disclosed
CN-116981778-A Method for producing cysteine knot protein 住友制药株式会社 2023-10-31 — — CN disclosed
WO-2022191252-A1 METHOD FOR PRODUCING CYSTEINE KNOT PROTEIN 住友ファーマ株式会社 2022-09-15 — — WO disclosed
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