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SCHEMBL29867710

SCHEMBL29867710

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

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 7/20 0.61
▸ VIPR1 P32241 5/20 0.60
▸ TFPI P10646 1/20 0.60
▸ GLP1R P43220 3/20 0.57
▸ ECE1 P42892 1/20 0.57
▸ MUS81 Q96NY9 1/20 0.57
▸ EP300 Q09472 1/20 0.54
▸ HIF1A Q16665 1/20 0.54

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
SCHEMBL30883259 0.91 TFPI (0.62) VIPR2VIPR1TFPI
SCHEMBL30429336 0.90 VIPR1 (0.65) VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL30495775 0.90 VIPR1 (0.70) VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL30495613 0.89 VIPR1 (0.66) VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL30712929 0.89 VIPR2 (0.64) VIPR2VIPR1GLP1R
SCHEMBL31000883 0.88 GLP1R (0.63) VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL29409598 0.88 TFPI (0.61) VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL31683281 0.88 VIPR1 (0.72) VIPR2VIPR1TFPIGLP1RECE1
SCHEMBL30176442 0.88 VIPR2 (0.64) VIPR2VIPR1TFPI
SCHEMBL30883269 0.88 GLP1R (0.60) VIPR2VIPR1TFPIGLP1RECE1

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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