SCHEMBL1433119

SCHEMBL1433119

CN1CCC[C@H]1C(=O)N[C@@H](C(=O)NCc1ccc(N)nc1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.41
PPIB P23284 1/20 0.39
F2 P00734 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
F10 P00742 1/20 0.36
CPB1 P15086 1/20 0.35
ALDH1A1 P00352 1/20 0.35
METTL3 Q86U44 1/20 0.35
DDR1 Q08345 1/20 0.35
MAPK14 Q16539 1/20 0.35
DDR2 Q16832 1/20 0.35

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
SCHEMBL1433254 0.86 CPB2 (0.44) MASP2F2
SCHEMBL1901776 0.83 CYP3A4 (0.37) F2MEN1KMT2ACYP3A4
SCHEMBL1906926 0.83 CYP3A4 (0.37) F2MEN1KMT2ACYP3A4
SCHEMBL1870522 0.82 MASP2 (0.45) MASP2METTL3
SCHEMBL1432393 0.81 MASP2 (0.43) MASP2PPIBCPB1METTL3
SCHEMBL1432406 0.81 MASP2 (0.43) MASP2PPIBCPB1METTL3
SCHEMBL1431929 0.81 MASP2 (0.46) MASP2PPIBCYP3A4CPB1ALDH1A1
SCHEMBL6882736 0.81 MASP2 (0.43) MASP2PPIBCYP3A4CPB1ALDH1A1
SCHEMBL1432619 0.81 MASP2 (0.42) MASP2PPIBCYP3A4CPB1MAPK14
SCHEMBL3139463 0.81 MASP2 (0.46) MASP2PPIBCYP3A4CPB1ALDH1A1

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed