SCHEMBL30063864

SCHEMBL30063864

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.49
▸ NPY4R P50391 8/20 0.49
▸ NPY5R Q15761 8/20 0.49
▸ NPY1R P25929 6/20 0.49
▸ CXCR4 P61073 2/20 0.46
▸ EPHA2 P29317 2/20 0.46
▸ TFPI P10646 3/20 0.45
▸ C5AR1 P21730 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ RAMP3 O60896 2/20 0.43
▸ CALCR P30988 2/20 0.43

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
SCHEMBL31670638 0.93 NPY2R (0.51) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30063854 0.89 EPHA2 (0.57) NPY2RNPY4RNPY5RNPY1REPHA2
SCHEMBL31665979 0.88 EPHA2 (0.47) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30062950 0.88 C5AR1 (0.56) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29679064 0.87 NPY2R (0.49) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL29679071 0.87 NPY2R (0.49) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31031494 0.85 CXCR4 (0.49) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30062944 0.84 EPHA2 (0.47) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30064441 0.84 F2 (0.41) C5AR1
SCHEMBL30996221 0.84 NPY2R (0.53) NPY2RNPY4RNPY5RNPY1REPHA2

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-3197912-B1 LIPIDATED AMIDE-BASED INSULIN PRODRUGS UNIV INDIANA RES & TECH CORP (US) 2023-01-04 — — EP disclosed
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