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SCHEMBL31174227

SCHEMBL31174227

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.62
▸ NPY1R P25929 6/20 0.62
▸ NPY2R P49146 4/20 0.62
▸ NPY5R Q15761 4/20 0.62
▸ TFPI P10646 1/20 0.59
▸ BACE1 P56817 2/20 0.58
▸ BACE2 Q9Y5Z0 1/20 0.58
▸ KISS1R Q969F8 7/20 0.57

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
SCHEMBL30262077 0.93 TFPI (0.67) TFPIBACE1BACE2KISS1R
SCHEMBL29434670 0.92 NPY4R (0.65) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29558454 0.92 TFPI (0.69) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL30924746 0.92 TFPI (0.59) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL30607413 0.91 TFPI (0.66) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL31419699 0.90 TFPI (0.71) TFPIBACE1BACE2
SCHEMBL31412167 0.90 NPY4R (0.75) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL31666017 0.89 NPY4R (0.71) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29835241 0.88 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5RTFPI
SCHEMBL29434605 0.88 NPY4R (0.71) NPY4RNPY1RNPY2RNPY5RKISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118853746-A Application of brassica BnNST gene in improving crack resistance of brassica napus 中国农业科学院油料作物研究所 2024-10-29 — — CN disclosed
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