SCHEMBL1864799

SCHEMBL1864799

CC[C@H](C)C(C(=O)N[C@@H](C(=O)NCc1cnc2[nH]ccc2c1)C(C1CCCCC1)C1CCCCC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.40
REN P00797 13/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
CHRNA7 P36544 1/20 0.35
BACE1 P56817 1/20 0.34
METTL3 Q86U44 1/20 0.33
METTL14 Q9HCE5 1/20 0.33
F2RL1 P55085 1/20 0.33
KLKB1 P03952 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL1864803 1.00 MASP2 (0.40) MASP2RENCTSDCTSECHRNA7
SCHEMBL1864797 1.00 MASP2 (0.40) MASP2RENCTSDCTSECHRNA7
SCHEMBL1868978 0.84 MASP2 (0.44) MASP2RENCTSDCTSECHRNA7
SCHEMBL1867873 0.83 MASP2 (0.45) MASP2RENCTSECHRNA7METTL3
Trifluoroacetic Acid SCHEMBL1873628 0.80 MASP2 (0.43) MASP2RENCHRNA7METTL3METTL14
SCHEMBL1869261 0.79 MME (0.38) MASP2RENCHRNA7METTL3METTL14
SCHEMBL1869265 0.79 MME (0.38) MASP2RENCHRNA7METTL3METTL14
SCHEMBL1869264 0.79 MME (0.38) MASP2RENCHRNA7METTL3METTL14
SCHEMBL1870522 0.73 MASP2 (0.45) MASP2CHRNA7METTL3METTL14KLKB1
SCHEMBL1874087 0.72 MASP2 (0.47) MASP2CHRNA7METTL3METTL14KLKB1

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
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO disclosed