SCHEMBL1431525

SCHEMBL1431525

COC(=O)CN1CCC[C@@H]1C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 1/20 0.39
▸ F2 P00734 8/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TLR2 O60603 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ MASP2 O00187 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ EHMT2 Q96KQ7 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
SCHEMBL1431936 0.92 F2 (0.39) PPIBF2ALDH1A1SMN1; SMN2TLR2
SCHEMBL3154107 0.84 PPIB (0.40) PPIBF2ALDH1A1SMN1; SMN2MASP2
SCHEMBL1431965 0.78 EHMT2 (0.43) TLR2MASP2EHMT2
SCHEMBL1432565 0.78 EHMT2 (0.45) TLR2MASP2EHMT2
SCHEMBL1902464 0.77 MASP2 (0.39) TLR2MASP2
SCHEMBL1899812 0.77 MASP2 (0.39) TLR2MASP2
SCHEMBL1432274 0.75 AAK1 (0.38) HDAC1MASP2
SCHEMBL1901340 0.75 PDPK1 (0.39) TLR2MASP2EHMT2
SCHEMBL1907783 0.75 PDPK1 (0.38) TLR2HDAC1MASP2
SCHEMBL1431876 0.75 MASP2 (0.43) TLR2MASP2EHMT2

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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