SCHEMBL10792564

SCHEMBL10792564

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 10/20 0.57
▸ NPY1R P25929 5/20 0.57
▸ NPY2R P49146 4/20 0.48
▸ NPY5R Q15761 4/20 0.48
▸ GNAI3 P08754 1/20 0.47
▸ GNAO1 P09471 1/20 0.47
▸ GNAI1 P63096 1/20 0.47
▸ ERAP2 Q6P179 6/20 0.45
▸ LNPEP Q9UIQ6 4/20 0.45
▸ ERAP1 Q9NZ08 3/20 0.45
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL10792547 1.00 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5RGNAI3
SCHEMBL30434218 0.94 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RGNAI3
Hydrochloric Acid SCHEMBL30380134 0.92 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RGNAI3
Hydrochloric Acid SCHEMBL29726986 0.92 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RGNAI3
Hydrochloric Acid SCHEMBL29508688 0.92 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RGNAI3
SCHEMBL30379845 0.91 NPY4R (0.63) NPY4RNPY1RNPY2RNPY5RERAP2
Hydrochloric Acid SCHEMBL29508677 0.90 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5RERAP2
Hydrochloric Acid SCHEMBL30379307 0.90 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5RERAP2
SCHEMBL21782583 0.88 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5RGNAI3
SCHEMBL16263595 0.88 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RGNAI3

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
US-4661453-A FROM CULTURED RAT PROSTATE ADENOCARCINOMA CELLS AMERICAN BIOGENETIC SCIENCES, INC. (US) 1987-04-28 — — US disclosed
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