SCHEMBL5073480

SCHEMBL5073480

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 8/20 0.47
KEAP1 Q14145 2/20 0.43
CTSD P07339 1/20 0.43
NPY1R P25929 4/20 0.42
NPY2R P49146 3/20 0.42
NPY5R Q15761 3/20 0.42
F2RL1 P55085 1/20 0.42
SLC2A1 P11166 2/20 0.41
VIPR1 P32241 1/20 0.41
VIPR2 P41587 1/20 0.41

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
SCHEMBL2367775 0.93 CTSB (0.43) NPY4RKEAP1VIPR1VIPR2
SCHEMBL2367433 0.93 NPY4R (0.40) NPY4RKEAP1NPY1RNPY2RNPY5R
SCHEMBL2367328 0.91 RXFP1 (0.41) NPY4RKEAP1VIPR1VIPR2
SCHEMBL2366970 0.91 RXFP1 (0.41) NPY4RKEAP1VIPR1VIPR2
SCHEMBL2367050 0.91 RXFP1 (0.42) NPY4RNPY1RNPY5RSLC2A1VIPR1
SCHEMBL2367032 0.91 RXFP1 (0.40) NPY4RKEAP1VIPR1VIPR2
SCHEMBL2367400 0.91 RXFP1 (0.40) NPY4RKEAP1VIPR1VIPR2
SCHEMBL2373308 0.90 NPY4R (0.50) NPY4RKEAP1NPY1RNPY2RNPY5R
SCHEMBL2368042 0.88 RXFP1 (0.44) NPY4RKEAP1CTSDNPY1RNPY2R
SCHEMBL2366814 0.88 RXFP1 (0.42) NPY4RKEAP1NPY1RNPY2RNPY5R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO disclosed