SCHEMBL29471300

SCHEMBL29471300

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(C)=O)C(C)C)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.60
▸ CTSK P43235 2/20 0.60
▸ NPY1R P25929 3/20 0.57
▸ NPY2R P49146 3/20 0.57
▸ NPY4R P50391 3/20 0.57
▸ MAGI3 Q5TCQ9 1/20 0.56
▸ NPBWR1 P48145 3/20 0.56
▸ PCSK9 Q8NBP7 2/20 0.55
▸ GHSR Q92847 2/20 0.52
▸ EDNRA P25101 1/20 0.50

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
SCHEMBL29589176 0.90 NPY1R (0.62) CTSBCTSKNPY1RNPY2RNPY4R
SCHEMBL29351915 0.85 KISS1R (0.64) NPY1RNPY2RNPY4RGHSR
SCHEMBL29433937 0.85 KISS1R (0.61) CTSBCTSKNPY1RNPY2RNPY4R
SCHEMBL30887369 0.85 CTSB (0.64) CTSBCTSKNPY1RNPY2RNPY4R
SCHEMBL29527343 0.84 NPY1R (0.70) NPY1RNPY2RNPY4RNPBWR1GHSR
SCHEMBL29679796 0.84 PCSK9 (0.62) CTSBCTSKNPY1RNPY2RNPY4R
SCHEMBL30297534 0.84 GHSR (0.69) GHSR
SCHEMBL29573751 0.84 NPY1R (0.60) CTSBCTSKNPY1RNPY2RNPY4R
SCHEMBL29547373 0.82 CTSB (0.61) CTSBCTSKNPY1RNPY2RNPY4R
SCHEMBL29707863 0.82 NPY1R (0.76) NPY1RNPY2RNPY4RNPBWR1GHSR

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-111214708-B Composite film carrying biological active factor PLA/PLGA/CS and preparation method thereof 扬州大学 2022-03-22 — — CN disclosed
Send feedback