SCHEMBL5069643

SCHEMBL5069643

CCC(=O)N(c1c[nH]c2ccccc12)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.64
▸ NPY1R P25929 2/20 0.52
▸ NPY2R P49146 2/20 0.52
▸ NPY4R P50391 2/20 0.52
▸ NPY5R Q15761 2/20 0.52
▸ GLP1R P43220 4/20 0.51
▸ CTSL P07711 2/20 0.50
▸ CTSS P25774 2/20 0.50
▸ CTSK P43235 2/20 0.50
▸ CTSH P09668 1/20 0.50
▸ GCGR P47871 3/20 0.50
▸ EPHA2 P29317 1/20 0.50
▸ NMBR P28336 1/20 0.50
▸ GRPR P30550 1/20 0.50
▸ APLNR P35414 1/20 0.50
▸ MC4R P32245 1/20 0.50
▸ MC5R P33032 1/20 0.50
▸ MC3R P41968 1/20 0.50
▸ MC1R Q01726 1/20 0.50
▸ CXCR4 P61073 3/20 0.49

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
SCHEMBL4956503 0.90 GLP1R (0.61) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29660814 0.81 C5AR1 (0.79) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29660777 0.81 C5AR1 (0.79) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30116704 0.80 C5AR1 (0.71) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29965030 0.80 C5AR1 (0.74) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30495765 0.80 NPY2R (0.64) NPY1RNPY2RNPY4RNPY5RTFPI
SCHEMBL30392901 0.80 C5AR1 (0.65) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31574325 0.79 C5AR1 (0.68) C5AR1GLP1RGCGREPHA2APLNR
SCHEMBL29880330 0.78 C5AR1 (0.64) C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31593288 0.78 C5AR1 (0.63) C5AR1NPY1RNPY2RNPY4RNPY5R

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-20080305998-A1 Ligand to GPR8 and DNA thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-12-11 — — US disclosed
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