SCHEMBL29794137

SCHEMBL29794137

CC(C)C[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.57
▸ NPBWR1 P48145 2/20 0.57
▸ KISS1R Q969F8 6/20 0.56
▸ ECE1 P42892 1/20 0.56
▸ NPY4R P50391 3/20 0.55
▸ NPY1R P25929 2/20 0.55
▸ NPY2R P49146 2/20 0.55
▸ NPY5R Q15761 2/20 0.55
▸ PRKACB P22694 1/20 0.54
▸ CXCR4 P61073 1/20 0.54
▸ UTS2R Q9UKP6 1/20 0.53

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
SCHEMBL29825066 0.95 NPY4R (0.61) GHSRNPBWR1KISS1RNPY4RNPY1R
SCHEMBL29794156 0.95 ERAP2 (0.55) GHSRNPBWR1KISS1RECE1CXCR4
Glycine SCHEMBL3497691 0.94 KISS1R (0.58) KISS1RECE1
SCHEMBL30401893 0.93 NPBWR1 (0.63) GHSRNPBWR1KISS1RNPY4RNPY1R
SCHEMBL30118086 0.93 GHSR (0.57) GHSRNPBWR1NPY4RNPY1RNPY2R
SCHEMBL30773914 0.93 GHSR (0.57) GHSRNPBWR1NPY4RNPY1RNPY2R
SCHEMBL30092942 0.93 NPBWR1 (0.57) GHSRNPBWR1KISS1RCXCR4
SCHEMBL29641180 0.92 GHSR (0.58) GHSRNPBWR1NPY4RNPY1RNPY2R
SCHEMBL30436748 0.91 KISS1R (0.60) KISS1RECE1NPY4RNPY1RNPY2R
SCHEMBL30265171 0.91 KISS1R (0.61) NPBWR1KISS1R

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
EP-4041748-A1 PEPTIDE COMPOUNDS FOR REDUCING SIDE EFFECTS OF CB1 RECEPTOR AGONISTS Universitat de Barcelona (ES) 2022-08-17 — — EP disclosed
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