SCHEMBL13623819

SCHEMBL13623819

Cc1nc(N)ccc1CNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C1CCCN1C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.52
TACR1 P25103 2/20 0.46
NTMT1 Q9BV86 2/20 0.45
MASP2 O00187 3/20 0.43
P2RX7 Q99572 1/20 0.42

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
SCHEMBL1432873 1.00 F2 (0.52) F2TACR1NTMT1MASP2P2RX7
Trifluoroacetic Acid SCHEMBL1434633 0.95 F2 (0.48) F2TACR1NTMT1MASP2
SCHEMBL1433336 0.87 TACR1 (0.46) F2TACR1NTMT1MASP2P2RX7
SCHEMBL1431847 0.84 F2 (0.50) F2MASP2
SCHEMBL1905233 0.83 NTMT1 (0.44) TACR1NTMT1P2RX7
SCHEMBL1906955 0.83 NTMT1 (0.44) TACR1NTMT1P2RX7
SCHEMBL1432458 0.82 F2 (0.46) F2MASP2
SCHEMBL1432185 0.82 F2 (0.46) F2MASP2
SCHEMBL1432134 0.82 F2 (0.52) F2TACR1
SCHEMBL1432145 0.79 TACR1 (0.46) F2TACR1NTMT1MASP2P2RX7

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-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed