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SCHEMBL14089458

SCHEMBL14089458

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

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.66
▸ NPY5R Q15761 8/20 0.66
▸ NPY1R P25929 8/20 0.66
▸ NPY2R P49146 5/20 0.61
▸ KISS1R Q969F8 5/20 0.56
▸ TFPI P10646 1/20 0.56
▸ BACE1 P56817 1/20 0.55
▸ BACE2 Q9Y5Z0 1/20 0.55

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
SCHEMBL14089467 0.95 NPY4R (0.67) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL14089462 0.94 NPY4R (0.68) NPY4RNPY5RNPY1RNPY2RTFPI
SCHEMBL14089445 0.94 NPY4R (0.63) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL14089444 0.94 NPY4R (0.63) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL14089508 0.94 NPY4R (0.63) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL14089490 0.90 NPY4R (0.65) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL14089481 0.90 NPY4R (0.65) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL14089482 0.90 NPY4R (0.65) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL14089484 0.90 NPY4R (0.65) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL14089478 0.90 NPY4R (0.65) NPY4RNPY5RNPY1RNPY2RKISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410949-B2 Genetically engineered truncated analogs of significantly lower-molecular-weight and having equal or better potency, pharmacokinetic properties and pharmacological properties as existing Y2R agonists; also pegylated analogs; treating obesity; dietetics; metabolic disorders HOFFMANN-LA ROCHE INC. (US) 2008-08-12 — — US disclosed
US-7410949-B2 Genetically engineered truncated analogs of significantly lower-molecular-weight and having equal or better potency, pharmacokinetic properties and pharmacological properties as existing Y2R agonists; also pegylated analogs; treating obesity; dietetics; metabolic disorders HOFFMANN-LA ROCHE INC. (US) 2008-08-12 — — US disclosed
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