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SCHEMBL29649225

SCHEMBL29649225

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 17/20 0.65
▸ VIPR1 P32241 2/20 0.61
▸ TFPI P10646 1/20 0.61
▸ SCTR P47872 1/20 0.61
▸ VIPR2 P41587 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
SCHEMBL30883219 0.94 TFPI (0.67) GLP1RVIPR1TFPISCTR
SCHEMBL30883263 0.92 TFPI (0.65) GLP1RVIPR1TFPISCTR
SCHEMBL31182730 0.92 GLP1R (0.72) GLP1RSCTR
SCHEMBL30176478 0.92 PTH1R (0.62) GLP1RVIPR1TFPIVIPR2
SCHEMBL29649231 0.92 GLP1R (0.62) GLP1RTFPISCTR
SCHEMBL31182816 0.92 GLP1R (0.69) GLP1RVIPR1SCTR
SCHEMBL30432888 0.91 GLP1R (0.62) GLP1RVIPR1VIPR2
SCHEMBL30262196 0.91 VIPR1 (0.65) GLP1RVIPR1VIPR2
SCHEMBL30262187 0.91 GLP1R (0.64) GLP1RVIPR1SCTRVIPR2
SCHEMBL31182663 0.90 CALCR (0.63) GLP1RVIPR1TFPIVIPR2

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-112391327-B Engineering bacterium for co-production of geraniol and nerol and construction method and application thereof 中国农业科学院烟草研究所 2022-08-05 — — CN disclosed
CN-112391371-B Tobacco monoterpene synthetase TPS2b, and coding gene and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-20 — — CN disclosed
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