SCHEMBL1865906

SCHEMBL1865906

CC(C)N1CCCC1C(=O)N[C@@H](CC1CCCCC1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.45
JAK1 P23458 1/20 0.39
F2RL1 P55085 6/20 0.38
CHRNA7 P36544 1/20 0.38
KLKB1 P03952 3/20 0.37
CTSL P07711 2/20 0.37
CTSS P25774 2/20 0.37
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 1/20 0.36
ABL1 P00519 1/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL1868141 1.00 MASP2 (0.45) MASP2JAK1F2RL1CHRNA7KLKB1
SCHEMBL1863774 0.90 MASP2 (0.45) MASP2F2RL1CHRNA7KLKB1CTSL
SCHEMBL1865375 0.90 MASP2 (0.45) MASP2F2RL1CHRNA7KLKB1CTSL
SCHEMBL1871998 0.90 MASP2 (0.45) MASP2F2RL1CHRNA7KLKB1CTSL
SCHEMBL1867033 0.89 MASP2 (0.43) MASP2F2RL1CHRNA7KLKB1CTSL
SCHEMBL1874220 0.89 MASP2 (0.45) MASP2JAK1F2RL1CHRNA7KLKB1
SCHEMBL1860917 0.85 MASP2 (0.44) MASP2JAK1CHRNA7KLKB1
SCHEMBL1869822 0.85 MASP2 (0.43) MASP2JAK1CHRNA7KLKB1
SCHEMBL1869934 0.82 MASP2 (0.47) MASP2F2RL1CHRNA7KLKB1CTSL
SCHEMBL1869929 0.82 MASP2 (0.47) MASP2F2RL1CHRNA7KLKB1CTSL

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 claimed