SCHEMBL1433336

SCHEMBL1433336

CN1CCCC1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.46
NTMT1 Q9BV86 2/20 0.45
FNTA P49354 1/20 0.41
PGGT1B P53609 1/20 0.41
MASP2 O00187 2/20 0.41
LCK P06239 1/20 0.41
P2RX7 Q99572 1/20 0.41
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PPIB P23284 1/20 0.40
OPRD1 P41143 3/20 0.39
OPRM1 P35372 1/20 0.39
F2 P00734 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MC4R P32245 1/20 0.38
MC3R P41968 1/20 0.38
MC1R Q01726 1/20 0.38

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
SCHEMBL1432145 0.91 TACR1 (0.46) TACR1NTMT1FNTAPGGT1BMASP2
SCHEMBL1433133 0.89 TACR1 (0.43) TACR1NTMT1MASP2PPIB
SCHEMBL1431988 0.89 TACR1 (0.44) TACR1MASP2
SCHEMBL1432848 0.87 KLKB1 (0.47) MASP2PPIBOPRD1OPRM1CTSS
SCHEMBL1432725 0.87 TACR1 (0.46) TACR1MASP2PLGPRSS1PRSS2
SCHEMBL1432873 0.87 F2 (0.52) TACR1NTMT1MASP2P2RX7F2
SCHEMBL13623819 0.87 F2 (0.52) TACR1NTMT1MASP2P2RX7F2
SCHEMBL1433724 0.87 TACR1 (0.48) TACR1
SCHEMBL1905233 0.86 NTMT1 (0.44) TACR1NTMT1FNTAPGGT1BLCK
SCHEMBL1906955 0.86 NTMT1 (0.44) TACR1NTMT1FNTAPGGT1BLCK

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 EP disclosed