SCHEMBL1863774

SCHEMBL1863774

CN1CCC[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.45
KLKB1 P03952 6/20 0.40
F2RL1 P55085 6/20 0.39
CHRNA7 P36544 1/20 0.39
METTL3 Q86U44 1/20 0.39
METTL14 Q9HCE5 1/20 0.39
CTSL P07711 3/20 0.38
CTSS P25774 3/20 0.38
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
KLK1 P06870 1/20 0.37
ABL1 P00519 1/20 0.37
ACKR3 P25106 1/20 0.37

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
SCHEMBL1865375 1.00 MASP2 (0.45) MASP2KLKB1F2RL1CHRNA7METTL3
SCHEMBL1871998 1.00 MASP2 (0.45) MASP2KLKB1F2RL1CHRNA7METTL3
SCHEMBL1874220 0.98 MASP2 (0.45) MASP2KLKB1F2RL1CHRNA7METTL3
SCHEMBL1867033 0.90 MASP2 (0.43) MASP2KLKB1F2RL1CHRNA7METTL3
SCHEMBL1865906 0.90 MASP2 (0.45) MASP2KLKB1F2RL1CHRNA7METTL3
SCHEMBL1868141 0.90 MASP2 (0.45) MASP2KLKB1F2RL1CHRNA7METTL3
SCHEMBL1870522 0.87 MASP2 (0.45) MASP2KLKB1CHRNA7METTL3METTL14
SCHEMBL1875013 0.86 KLKB1 (0.44) MASP2KLKB1CHRNA7METTL3METTL14
SCHEMBL1870902 0.85 MASP2 (0.43) MASP2KLKB1CHRNA7METTL3METTL14
SCHEMBL1867150 0.85 MASP2 (0.43) MASP2KLKB1METTL3METTL14KLK1

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