SCHEMBL1874196

SCHEMBL1874196

CN1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.43
KLKB1 P03952 9/20 0.40
CHRNA7 P36544 1/20 0.38
KLK1 P06870 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
METAP2 P50579 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
TACR1 P25103 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 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
SCHEMBL1871181 1.00 MASP2 (0.43) MASP2KLKB1CHRNA7KLK1ALDH1A1
SCHEMBL1867433 0.98 MASP2 (0.42) MASP2KLKB1CHRNA7KLK1ALDH1A1
Trifluoroacetic Acid SCHEMBL1873249 0.96 DPP4 (0.43) MASP2KLKB1CHRNA7TACR1MEN1
SCHEMBL1870902 0.93 MASP2 (0.43) MASP2KLKB1CHRNA7KLK1METAP2
SCHEMBL1867894 0.91 MASP2 (0.43) MASP2KLKB1KLK1TACR1
SCHEMBL1867150 0.91 MASP2 (0.43) MASP2KLKB1KLK1TACR1
SCHEMBL1869313 0.91 MASP2 (0.42) MASP2KLKB1CHRNA7ALDH1A1LMNA
SCHEMBL1860917 0.91 MASP2 (0.44) MASP2KLKB1CHRNA7ALDH1A1LMNA
SCHEMBL1880431 0.91 MASP2 (0.44) MASP2KLKB1ALDH1A1LMNAMETAP2
SCHEMBL1875013 0.91 KLKB1 (0.44) MASP2KLKB1CHRNA7KLK1

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