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SCHEMBL2373308

SCHEMBL2373308

CC(C)C[C@H](NC(=O)[C@@H](N)[C@H](O)C(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](COC(=O)C(F)(F)F)C(=O)N[C@@H](COC(=O)C(F)(F)F)C(=O)O)[C@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 7/20 0.50
▸ KEAP1 Q14145 2/20 0.49
▸ OPRM1 P35372 5/20 0.48
▸ OPRD1 P41143 5/20 0.48
▸ OPRK1 P41145 2/20 0.48
▸ NPY1R P25929 4/20 0.46
▸ NPY2R P49146 3/20 0.45
▸ NPY5R Q15761 3/20 0.45
▸ CTSB P07858 1/20 0.44

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
SCHEMBL2367191 0.93 NPY4R (0.43) NPY4RKEAP1OPRM1OPRD1OPRK1
SCHEMBL2367313 0.91 NPY4R (0.42) NPY4RKEAP1OPRM1OPRD1OPRK1
SCHEMBL5073480 0.90 NPY4R (0.47) NPY4RKEAP1NPY1RNPY2RNPY5R
SCHEMBL2367091 0.89 RXFP1 (0.41) NPY4RKEAP1NPY1RNPY2RNPY5R
SCHEMBL2372530 0.89 NPY4R (0.40) NPY4RKEAP1OPRM1OPRD1OPRK1
SCHEMBL13723920 0.88 OPRM1 (0.59) NPY4RKEAP1OPRM1OPRD1OPRK1
SCHEMBL2367948 0.86 CTSB (0.44) OPRM1OPRD1OPRK1CTSB
SCHEMBL2368042 0.86 RXFP1 (0.44) NPY4RKEAP1NPY1RNPY2RNPY5R
SCHEMBL2366814 0.85 RXFP1 (0.42) NPY4RKEAP1NPY1RNPY2RNPY5R
SCHEMBL2367832 0.85 RXFP1 (0.37) NPY4RKEAP1

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-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 — — EP disclosed