SCHEMBL1870522

SCHEMBL1870522

CN1CCC[C@H]1C(=O)N[C@@H](C(=O)NCc1cnc2[nH]ccc2c1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.45
KLKB1 P03952 9/20 0.40
ACKR3 P25106 2/20 0.40
CHRNA7 P36544 1/20 0.38
KLK1 P06870 3/20 0.37
ABL1 P00519 1/20 0.37
JAK1 P23458 4/20 0.36
METTL3 Q86U44 1/20 0.36
METTL14 Q9HCE5 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
Trifluoroacetic Acid SCHEMBL1888157 0.95 MASP2 (0.43) MASP2KLKB1ACKR3CHRNA7KLK1
SCHEMBL1863774 0.87 MASP2 (0.45) MASP2KLKB1ACKR3CHRNA7KLK1
SCHEMBL1871998 0.87 MASP2 (0.45) MASP2KLKB1ACKR3CHRNA7KLK1
SCHEMBL1865375 0.87 MASP2 (0.45) MASP2KLKB1ACKR3CHRNA7KLK1
SCHEMBL1874220 0.85 MASP2 (0.45) MASP2KLKB1ACKR3CHRNA7KLK1
SCHEMBL1433119 0.82 MASP2 (0.41) MASP2METTL3
SCHEMBL1875013 0.81 KLKB1 (0.44) MASP2KLKB1CHRNA7KLK1ABL1
SCHEMBL1868978 0.81 MASP2 (0.44) MASP2KLKB1CHRNA7ABL1JAK1
SCHEMBL1870902 0.81 MASP2 (0.43) MASP2KLKB1CHRNA7KLK1METTL3
SCHEMBL1867150 0.81 MASP2 (0.43) MASP2KLKB1KLK1JAK1METTL3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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