SCHEMBL29579866

SCHEMBL29579866

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.63
▸ NPY1R P25929 8/20 0.63
▸ NPY2R P49146 6/20 0.63
▸ NPY5R Q15761 5/20 0.63
▸ KISS1R Q969F8 1/20 0.56
▸ LTA4H P09960 1/20 0.54
▸ OPRK1 P41145 2/20 0.52

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
SCHEMBL30900192 0.97 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30900089 0.96 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31222396 0.94 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL23405252 0.93 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL23405249 0.93 NPY4R (0.64) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL30833334 0.93 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31361466 0.93 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29586394 0.92 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL29580364 0.91 NPY4R (0.60) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL9763738 0.90 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724903-A Compound with fused ring structure, its preparation method and use, and pharmaceutical composition and use 苏州安赛隆医药科技有限公司 2024-10-01 — — CN disclosed
US-20220143024-A1 METHODS OF USING IMIPRIDONES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-05-12 — — US disclosed
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