SCHEMBL1432168

SCHEMBL1432168

C[C@@H](CCC(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1ccc(Cl)c(Cl)c1)CNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.35
▸ S1PR3 Q99500 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ FURIN P09958 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ F2R P25116 1/20 0.32

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
SCHEMBL1432117 0.88 F2R (0.35) MASP2S1PR3TRPV1FURINF2R
SCHEMBL1432274 0.79 AAK1 (0.38) MASP2S1PR3FURINAAK1HDAC1
SCHEMBL1432596 0.78 MASP2 (0.39) MASP2FURINTSHRF2R
SCHEMBL1902789 0.78 NAMPT (0.44) MASP2AAK1HDAC1
SCHEMBL1901816 0.77 MASP2 (0.39) MASP2FURINCYP3A4TSHRF2R
SCHEMBL1432473 0.76 MASP2 (0.38) MASP2FURINCYP3A4TSHR
SCHEMBL1904795 0.76 S1PR3 (0.39) S1PR3TRPV1AAK1
SCHEMBL1433593 0.75 MASP2 (0.35) MASP2FURINCYP3A4CA1CA2
SCHEMBL1432283 0.75 ALDH1A1 (0.49) F2R
SCHEMBL1432104 0.73 CYP3A4 (0.38) MASP2CYP3A4CA1CA2HDAC1

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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