SCHEMBL2367433

SCHEMBL2367433

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)NCC(=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 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.40
RXFP1 Q9HBX9 2/20 0.40
F2RL1 P55085 1/20 0.35
KEAP1 Q14145 2/20 0.35
NPY1R P25929 4/20 0.35
NPY2R P49146 3/20 0.35
NPY5R Q15761 3/20 0.35
PRSS1 P07477 1/20 0.34
FURIN P09958 1/20 0.34
RXFP4 Q8TDU9 1/20 0.34
RXFP3 Q9NSD7 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34

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
SCHEMBL2367328 0.96 RXFP1 (0.41) NPY4RRXFP1KEAP1
SCHEMBL2366970 0.96 RXFP1 (0.41) NPY4RRXFP1KEAP1
SCHEMBL2367400 0.96 RXFP1 (0.40) NPY4RRXFP1KEAP1
SCHEMBL2367032 0.96 RXFP1 (0.40) NPY4RRXFP1KEAP1
SCHEMBL2367050 0.96 RXFP1 (0.42) NPY4RRXFP1NPY1RNPY5R
SCHEMBL2368042 0.93 RXFP1 (0.44) NPY4RRXFP1F2RL1KEAP1NPY1R
SCHEMBL2366814 0.93 RXFP1 (0.42) NPY4RRXFP1F2RL1KEAP1NPY1R
SCHEMBL5073480 0.93 NPY4R (0.47) NPY4RF2RL1KEAP1NPY1RNPY2R
SCHEMBL2367091 0.93 RXFP1 (0.41) NPY4RRXFP1F2RL1KEAP1NPY1R
SCHEMBL2367247 0.91 RXFP1 (0.39) NPY4RRXFP1PRSS1FURIN

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