SCHEMBL29689385

SCHEMBL29689385

CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.57
▸ NPY1R P25929 7/20 0.57
▸ NPY2R P49146 5/20 0.57
▸ NPY5R Q15761 4/20 0.57
▸ KISS1R Q969F8 3/20 0.53
▸ OPRM1 P35372 3/20 0.51
▸ OPRD1 P41143 3/20 0.51
▸ OPRK1 P41145 2/20 0.51

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
SCHEMBL7595615 0.88 NPY4R (0.67) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL7595627 0.88 NPY4R (0.67) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30988894 0.86 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30300516 0.85 NPY4R (0.71) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30900195 0.85 NPY4R (0.63) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30900117 0.85 NPY4R (0.63) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31074747 0.84 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL9419225 0.84 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL9419221 0.84 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL3933285 0.84 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R

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-108349960-B Nostoc compounds and conjugates, their preparation and their therapeutic use 赛诺菲 2022-05-27 — — CN disclosed
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