SCHEMBL30512654

SCHEMBL30512654

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

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.62
▸ NPY1R P25929 9/20 0.62
▸ NPY5R Q15761 8/20 0.62
▸ TFPI P10646 1/20 0.60
▸ NPY2R P49146 5/20 0.59

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
SCHEMBL30834754 0.92 NPY4R (0.60) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL30354439 0.92 NPY4R (0.64) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL31013860 0.92 NPY4R (0.64) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL29548324 0.90 TFPI (0.63) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL30904845 0.90 NPY4R (0.58) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL22413050 0.90 NPY4R (0.65) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL22413053 0.90 NPY4R (0.65) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL30904847 0.90 NPY4R (0.58) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL30904842 0.89 NPY4R (0.56) NPY4RNPY1RNPY5RTFPINPY2R
SCHEMBL30844091 0.89 NPY4R (0.63) NPY4RNPY1RNPY5RTFPINPY2R

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-116490215-A Targeted mediated endocytic drug delivery CRM医疗有限公司 2023-07-25 — — CN disclosed
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