SCHEMBL1432382

SCHEMBL1432382

CCN(CC)[C@@H](C)C(=O)NC[C@H](C(=O)NCc1ccc(N)nc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.40
▸ CCR2 P41597 2/20 0.38
▸ MASP2 O00187 3/20 0.38
▸ FAAH O00519 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ VNN1 O95497 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTGFR P43088 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36

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
SCHEMBL1432197 0.92 F2 (0.40) F2CCR2MASP2FAAHBCHE
SCHEMBL1433035 0.90 F2 (0.40) F2CCR2MASP2FAAHBCHE
SCHEMBL1431682 0.88 MASP2 (0.40) MASP2ROCK2MEN1KMT2A
SCHEMBL1432462 0.87 MASP2 (0.39) MASP2FAAHKCNQ2MEN1KMT2A
SCHEMBL1433112 0.84 KCNQ2 (0.42) F2CCR2KCNQ2TACR1
SCHEMBL1432449 0.83 NAMPT (0.43) MASP2KMT2A
SCHEMBL3145343 0.81 MAPK14 (0.45) F2MASP2
SCHEMBL1432380 0.81 MAPK14 (0.45) F2MASP2
SCHEMBL1431885 0.81 HPGD (0.39) F2MASP2BCHEMEN1ALDH1A1
SCHEMBL1431810 0.80 MASP2 (0.39) MASP2MEN1KMT2AOPRM1CDK8

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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