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SCHEMBL17887897

SCHEMBL17887897

CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.61
▸ NPY1R P25929 10/20 0.61
▸ NPY5R Q15761 8/20 0.61
▸ NPY2R P49146 6/20 0.61
▸ KISS1R Q969F8 1/20 0.48
▸ APLNR P35414 1/20 0.47

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
SCHEMBL17887995 1.00 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31267994 0.95 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL31388270 0.94 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30252503 0.93 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29464056 0.93 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31252942 0.93 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30605443 0.93 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30612296 0.93 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL29519652 0.92 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RKISS1R
SCHEMBL30966840 0.91 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RAPLNR

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-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 — — WO disclosed
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