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Sugi Predict / Compounds / SCHEMBL24114780

SCHEMBL24114780

SCHEMBL24114780

C/C=C\c1cc(C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CCCc2ccccc2)C(N)=O)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 17/20 0.49
▸ NPY5R Q15761 10/20 0.49
▸ NPY1R P25929 10/20 0.49
▸ NPY2R P49146 7/20 0.49
▸ KISS1R Q969F8 1/20 0.41

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
SCHEMBL22339062 0.90 NPY4R (0.55) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL22339066 0.87 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2R
SCHEMBL22485383 0.87 NPY4R (0.51) NPY4RNPY5RNPY1RNPY2R
SCHEMBL24919552 0.83 NPY4R (0.57) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL14811912 0.82 MC4R (0.57) KISS1R
SCHEMBL30548763 0.81 NPY4R (0.55) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL22339064 0.80 MC4R (0.55) KISS1R
SCHEMBL22117539 0.80 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL22117541 0.80 NPY4R (0.54) NPY4RNPY5RNPY1RNPY2RKISS1R
SCHEMBL22330634 0.79 QRFPR (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704134-B1 ANTIMICROBIAL TETRAPEPTIDES DSM IP ASSETS BV (NL) 2021-12-22 — — EP disclosed
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