SCHEMBL9551329

SCHEMBL9551329

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.47
▸ NPY4R P50391 5/20 0.42
▸ NPY1R P25929 4/20 0.42
▸ NPY2R P49146 3/20 0.42
▸ NPY5R Q15761 3/20 0.42
▸ GLP1R P43220 4/20 0.42
▸ SCTR P47872 1/20 0.42
▸ BACE1 P56817 5/20 0.41
▸ VIPR2 P41587 2/20 0.40
▸ CTSD P07339 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40
▸ VIPR1 P32241 1/20 0.40
▸ GCGR P47871 1/20 0.40

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
SCHEMBL9551332 0.96 C5AR1 (0.46) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL6710584 0.93 NPY4R (0.51) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL6710592 0.93 NPY4R (0.51) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30974390 0.92 NPY4R (0.44) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29948315 0.91 C5AR1 (0.46) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30851295 0.91 NPY4R (0.52) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL31529444 0.90 NPY4R (0.52) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30140911 0.90 GLP1R (0.51) GLP1RSCTRVIPR2VIPR1GCGR
SCHEMBL9444822 0.90 NPY4R (0.46) C5AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL9444799 0.90 NPY4R (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34165-E Pentapeptide immunoregulators ORTHO PHARMACEUTICAL CORPORATION (US) 1993-01-19 — — US disclosed
US-4629723-A IMMUNOREGULATING PEPTIDES ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-16 — — US disclosed
EP-0166612-A2 Potent thymopentin analogs ORTHO PHARMACEUTICAL CORPORATION (US) 1986-01-02 — — EP disclosed
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