SCHEMBL1432197

SCHEMBL1432197

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.40
▸ CCR2 P41597 5/20 0.40
▸ OPRM1 P35372 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ MASP2 O00187 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ FAAH O00519 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAPK14 Q16539 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
SCHEMBL1432382 0.92 F2 (0.40) F2CCR2OPRM1OPRL1MASP2
SCHEMBL1433035 0.91 F2 (0.40) F2CCR2OPRM1OPRL1MASP2
SCHEMBL1431810 0.88 MASP2 (0.39) OPRM1MASP2MEN1KMT2ACDK8
SCHEMBL1433112 0.84 KCNQ2 (0.42) F2CCR2KCNQ2
SCHEMBL1432194 0.82 MAPK14 (0.44) F2MASP2MAPK14
SCHEMBL3147894 0.82 MAPK14 (0.44) F2MASP2MAPK14
SCHEMBL1431682 0.80 MASP2 (0.40) MASP2MEN1KMT2AROCK2
SCHEMBL1432618 0.80 NAMPT (0.41) CCR2MASP2MEN1KMT2A
SCHEMBL1431885 0.80 HPGD (0.39) F2MASP2MEN1KMT2ABCHE
SCHEMBL1432369 0.80 MASP2 (0.38) MASP2MEN1KMT2A

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
Send feedback