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SCHEMBL29649200

SCHEMBL29649200

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.60
▸ AGTR1 P30556 1/20 0.59
▸ AGTR2 P50052 1/20 0.59
▸ F2 P00734 4/20 0.57
▸ CALCRL Q16602 1/20 0.57
▸ NPY2R P49146 5/20 0.56
▸ NPY4R P50391 5/20 0.56
▸ NPY5R Q15761 5/20 0.56
▸ NPY1R P25929 3/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ OPRD1 P41143 2/20 0.56
▸ OPRK1 P41145 2/20 0.56

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
SCHEMBL30567772 0.90 CALCR (0.74) CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29949588 0.89 CALCR (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30432086 0.89 RAMP3 (0.63) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182878 0.89 CALCR (0.70) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30435444 0.89 OPRD1 (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182993 0.88 OPRM1 (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30358154 0.88 CALCR (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30429255 0.88 CALCR (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29463723 0.88 AGTR2 (0.59) AGTR1AGTR2F2CALCRL
SCHEMBL31182741 0.87 CALCR (0.62) CALCRF2NPY2RNPY4RNPY5R

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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