SCHEMBL1869261

SCHEMBL1869261

CCC(C)C(C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1cnc2[nH]ccc2c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
MASP2 O00187 1/20 0.37
KLKB1 P03952 5/20 0.35
CTSS P25774 3/20 0.34
CTSK P43235 3/20 0.34
CTSB P07858 1/20 0.34
CHRNA7 P36544 1/20 0.34
REN P00797 4/20 0.33
PGA5 P0DJD9 1/20 0.33
PTPN1 P18031 1/20 0.33
KLK1 P06870 1/20 0.33
HTRA1 Q92743 1/20 0.33
METTL3 Q86U44 1/20 0.33
METTL14 Q9HCE5 1/20 0.33
MAPT P10636 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
SCHEMBL1869265 1.00 MME (0.38) MMEACECPA1ACE2MASP2
SCHEMBL1869264 1.00 MME (0.38) MMEACECPA1ACE2MASP2
SCHEMBL1868416 0.89 MASP2 (0.41) MMEACECPA1ACE2MASP2
SCHEMBL1864424 0.84 CTSS (0.48) MASP2CTSSCTSKCTSBPTPN1
SCHEMBL1867510 0.82 MASP2 (0.41) MMEACECPA1ACE2MASP2
SCHEMBL1873380 0.82 MASP2 (0.43) MMEACECPA1ACE2MASP2
SCHEMBL1873386 0.82 MASP2 (0.43) MMEACECPA1ACE2MASP2
Hydrochloric Acid SCHEMBL1869464 0.81 MASP2 (0.41) MMEACECPA1ACE2MASP2
SCHEMBL1871675 0.81 MASP2 (0.42) MMEACECPA1ACE2MASP2
SCHEMBL1871667 0.81 MASP2 (0.42) MMEACECPA1ACE2MASP2

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