SCHEMBL31315032

SCHEMBL31315032

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

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.60
▸ NPY5R Q15761 9/20 0.60
▸ NPY1R P25929 9/20 0.60
▸ TFPI P10646 1/20 0.60
▸ NPBWR1 P48145 2/20 0.57
▸ NPY2R P49146 6/20 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
Mmi-0100 SCHEMBL29380469 0.91 TFPI (0.65) NPY4RNPY5RNPY1RTFPINPBWR1
SCHEMBL31411175 0.91 TFPI (0.57) NPY4RNPY5RNPY1RTFPINPBWR1
SCHEMBL31370896 0.91 TFPI (0.57) NPY4RNPY5RNPY1RTFPINPBWR1
SCHEMBL31757517 0.90 NPY4R (0.54) NPY4RNPY5RNPY1RTFPINPY2R
SCHEMBL30310794 0.89 TFPI (0.62) NPY4RNPY5RNPY1RTFPINPBWR1
SCHEMBL30939697 0.89 NPY4R (0.52) NPY4RNPY5RNPY1RTFPINPY2R
SCHEMBL31232432 0.89 NPY4R (0.52) NPY4RNPY5RNPY1RTFPINPY2R
SCHEMBL30939704 0.89 NPY4R (0.52) NPY4RNPY5RNPY1RTFPINPY2R
SCHEMBL5965061 0.89 NPY4R (0.52) NPY4RNPY5RNPY1RTFPINPY2R
SCHEMBL5965085 0.89 NPY4R (0.52) NPY4RNPY5RNPY1RTFPINPY2R

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-119280419-A Indocyanine green-hyaluronic acid-polypeptide conjugate and preparation method and application thereof 山东大学 2025-01-10 — — CN disclosed
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