SCHEMBL1431965

SCHEMBL1431965

C[C@@H](C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)c(F)c1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.43
▸ KCNQ2 O43526 1/20 0.39
▸ PDPK1 O15530 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MASP2 O00187 3/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ CCR2 P41597 2/20 0.36
▸ MET P08581 1/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1I Q9P0X4 1/20 0.35
▸ CPA1 P15085 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.34

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
SCHEMBL1432565 0.99 EHMT2 (0.45) EHMT2KCNQ2PDPK1NPC1MASP2
SCHEMBL1431927 0.89 EHMT2 (0.51) EHMT2MASP2NAMPTCCR2
SCHEMBL1432219 0.89 EHMT2 (0.51) EHMT2MASP2NAMPTCCR2
SCHEMBL1432142 0.89 EHMT2 (0.46) EHMT2NPC1MASP2NAMPTTLR2
SCHEMBL1432418 0.86 CHRNA1 (0.41) EHMT2KCNQ2MASP2
SCHEMBL1432580 0.85 CCR2 (0.45) EHMT2MASP2CCR2
SCHEMBL1432256 0.85 CCR2 (0.45) EHMT2MASP2CCR2
SCHEMBL1431876 0.84 MASP2 (0.43) EHMT2PDPK1MASP2NAMPTTLR2
SCHEMBL1902464 0.84 MASP2 (0.39) PDPK1MASP2NAMPTTLR2CACNA1G
SCHEMBL1899812 0.84 MASP2 (0.39) PDPK1MASP2NAMPTTLR2CACNA1G

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
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