SCHEMBL17887955

SCHEMBL17887955

CC(C)C(NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.47
▸ GLP1R P43220 4/20 0.42
▸ SCTR P47872 1/20 0.42
▸ NPY4R P50391 9/20 0.42
▸ NPY1R P25929 5/20 0.42
▸ NPY2R P49146 4/20 0.42
▸ NPY5R Q15761 4/20 0.42
▸ KEAP1 Q14145 1/20 0.40
▸ PRMT1 Q99873 1/20 0.39
▸ APLNR P35414 1/20 0.39

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
SCHEMBL17887903 0.92 NPY4R (0.42) C5AR1GLP1RSCTRNPY4RNPY1R
SCHEMBL29736307 0.92 C5AR1 (0.52) C5AR1GLP1RSCTRKEAP1PRMT1
SCHEMBL31496391 0.90 C5AR1 (0.49) C5AR1GLP1RSCTRNPY4RNPY1R
SCHEMBL30148949 0.89 NPY4R (0.37) C5AR1GLP1RSCTRNPY4RNPY1R
SCHEMBL30920012 0.87 NPY4R (0.47) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL6710592 0.87 NPY4R (0.51) C5AR1GLP1RSCTRNPY4RNPY1R
SCHEMBL9551329 0.87 C5AR1 (0.47) C5AR1GLP1RSCTRNPY4RNPY1R
SCHEMBL6710584 0.87 NPY4R (0.51) C5AR1GLP1RSCTRNPY4RNPY1R
SCHEMBL9551332 0.87 C5AR1 (0.46) C5AR1GLP1RSCTRNPY4RNPY1R
SCHEMBL31088231 0.86 NPY4R (0.49) C5AR1NPY4RNPY1RNPY2RNPY5R

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
WO-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 — — WO disclosed
Send feedback