SCHEMBL30903267

SCHEMBL30903267

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.59
▸ NPY4R P50391 8/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY1R P25929 6/20 0.59
▸ CALCR P30988 4/20 0.59
▸ TFPI P10646 1/20 0.58
▸ GLP1R P43220 4/20 0.58
▸ C5AR1 P21730 1/20 0.58
▸ GCGR P47871 3/20 0.57

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
SCHEMBL29903219 0.92 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30262233 0.90 CALCR (0.64) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30906000 0.90 C5AR1 (0.58) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182486 0.90 CALCR (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182765 0.89 CALCR (0.62) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30432128 0.89 CALCR (0.69) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30511759 0.89 CALCR (0.66) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30495793 0.89 CALCR (0.67) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29695646 0.89 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30658233 0.89 CALCR (0.71) NPY2RNPY4RNPY5RNPY1RCALCR

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-20240148849-A1 IMMUNOGENIC COMPOSITION, USE AND METHODS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2024-05-09 — — US disclosed
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