SCHEMBL30958046

SCHEMBL30958046

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 16/20 0.58
▸ NPY1R P25929 10/20 0.58
▸ NPY5R Q15761 8/20 0.58
▸ NPY2R P49146 6/20 0.58
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.42

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
SCHEMBL3138301 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL3138312 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL29531992 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL29794924 1.00 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL29655324 0.97 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL27639946 0.97 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL29947104 0.97 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RALDH1A1
Acetic Acid SCHEMBL9189488 0.97 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RALDH1A1
Acetic Acid SCHEMBL9189505 0.97 NPY4R (0.56) NPY4RNPY1RNPY5RNPY2RALDH1A1
SCHEMBL31601685 0.96 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2R

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
EP-3649146-B1 APELIN PEPTIDES AND USES THEREOF UNIV ALBERTA (CA) 2024-06-26 — — EP claimed
EP-3649146-B1 APELIN PEPTIDES AND USES THEREOF UNIV ALBERTA (CA) 2024-06-26 — — EP disclosed
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