SCHEMBL29531971

SCHEMBL29531971

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.51
▸ NPY1R P25929 7/20 0.51
▸ NPY2R P49146 5/20 0.51
▸ NPY5R Q15761 5/20 0.51
▸ KISS1R Q969F8 1/20 0.47
▸ CTSC P53634 1/20 0.44
▸ OPRD1 P41143 2/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL30903436 1.00 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL13448837 0.99 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30437446 0.99 NPY4R (0.52) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29658146 0.94 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL13449160 0.93 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29461973 0.92 NPY4R (0.63) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL30900117 0.92 NPY4R (0.63) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30900195 0.92 NPY4R (0.63) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29540421 0.92 NPY4R (0.63) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL8927814 0.92 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
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