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SCHEMBL29867734

SCHEMBL29867734

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.58
▸ VIPR2 P41587 6/20 0.55
▸ TFPI P10646 1/20 0.55
▸ BACE1 P56817 2/20 0.53
▸ BACE2 Q9Y5Z0 2/20 0.53
▸ GLP1R P43220 2/20 0.53
▸ KISS1R Q969F8 2/20 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
SCHEMBL30432280 0.93 VIPR1 (0.65) VIPR1VIPR2TFPIBACE1BACE2
SCHEMBL29903284 0.90 VIPR1 (0.58) VIPR1VIPR2GLP1R
SCHEMBL30844078 0.89 BACE1 (0.59) VIPR1VIPR2BACE1BACE2KISS1R
SCHEMBL30176451 0.89 VIPR1 (0.66) VIPR1VIPR2BACE1BACE2GLP1R
SCHEMBL29714744 0.88 BACE1 (0.59) VIPR1VIPR2BACE1GLP1RKISS1R
SCHEMBL15669773 0.88 TFPI (0.53) VIPR1VIPR2TFPIBACE1BACE2
SCHEMBL30262239 0.88 VIPR2 (0.56) VIPR1VIPR2TFPIBACE1BACE2
SCHEMBL31558556 0.88 BACE1 (0.57) VIPR1VIPR2TFPIBACE1BACE2
SCHEMBL30431393 0.88 GRIN2D (0.53) VIPR1VIPR2BACE1
SCHEMBL29903357 0.88 VIPR1 (0.54) VIPR1VIPR2TFPIBACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114921435-B Ornithine acetyltransferase mutant, encoding gene, plasmid, genetically engineered bacterium and application 南通紫琅生物医药科技有限公司 2023-08-29 — — CN disclosed
CN-114921435-A Ornithine acetyltransferase mutant, coding gene, plasmid, gene engineering bacterium and application 南通紫琅生物医药科技有限公司 2022-08-19 — — CN disclosed
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