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SCHEMBL25944441

SCHEMBL25944441

CCCCC[C@H]1NC(=O)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](NC2OC2[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CC(C)C)[C@@H](C)O)C(c2ccccc2)c2ccccc2)CSSC(C)(C)[C@@H](C(N)=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.42
▸ SLC40A1 Q9NP59 3/20 0.41
▸ NPY2R P49146 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ CTNNB1 P35222 2/20 0.41
▸ INSR P06213 1/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ F11 P03951 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ MC1R Q01726 1/20 0.39
▸ TFPI P10646 4/20 0.39
▸ PRLHR P49683 1/20 0.39

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
SCHEMBL25944461 0.91 HSP90AB1 (0.47) HSP90AB1NPY2REGFRLCKCSNK2A2
SCHEMBL25944583 0.86 SLC40A1 (0.46) HSP90AB1SLC40A1NPY2RCSNK2A2CSNK2B
SCHEMBL26292635 0.86 RAMP3 (0.46) HSP90AB1SLC40A1NPY2RCSNK2A2CSNK2B
SCHEMBL26305035 0.85 NPY2R (0.47) HSP90AB1NPY2RCSNK2A2CSNK2BCSNK2A1
SCHEMBL26307010 0.82 NPY2R (0.48) HSP90AB1NPY2RCSNK2A2CSNK2BCSNK2A1
SCHEMBL26292602 0.79 RAMP3 (0.49) SLC40A1NPY2RCSNK2A2CSNK2BCSNK2A1
SCHEMBL25946013 0.78 SLC40A1 (0.48) HSP90AB1SLC40A1NPY2RCSNK2A2CSNK2B
SCHEMBL26306177 0.77 APLNR (0.45) NPY2RINSRTFPIPRLHR
SCHEMBL29311757 0.77 CSNK2A2 (0.43) SLC40A1NPY2RCSNK2A2CSNK2BCSNK2A1
SCHEMBL29311547 0.77 CSNK2A2 (0.43) SLC40A1NPY2RCSNK2A2CSNK2BCSNK2A1

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
WO-2023150630-A2 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. (US) 2023-08-10 — — WO disclosed
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