SCHEMBL1432133

SCHEMBL1432133

CN[C@@H](C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1cccc(Cl)c1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 4/20 0.40
▸ ADRB2 P07550 4/20 0.39
▸ ADRB1 P08588 4/20 0.39
▸ ADRB3 P13945 4/20 0.39
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ROCK2 O75116 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
SCHEMBL1432473 0.88 MASP2 (0.38) MASP2NAMPT
SCHEMBL1432679 0.86 MASP2 (0.39) MASP2ADRB2ADRB1ADRB3LMNA
SCHEMBL1431803 0.85 CTSB (0.41) MASP2
SCHEMBL1432462 0.85 MASP2 (0.39) MASP2ADRB2ADRB1ADRB3NAMPT
SCHEMBL1432188 0.85 MASP2 (0.39) MASP2ADRB2ADRB1ADRB3NAMPT
SCHEMBL1432545 0.83 NAMPT (0.44) MASP2NAMPT
SCHEMBL1432418 0.82 CHRNA1 (0.41) MASP2ADRB2ADRB1ADRB3
SCHEMBL1902822 0.82 BACE1 (0.40) MASP2ADRB2ADRB1ADRB3NAMPT
SCHEMBL1433148 0.81 MASP2 (0.39) MASP2NAMPT
SCHEMBL3141395 0.80 CTSB (0.45) MASP2

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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