SCHEMBL1433035

SCHEMBL1433035

CC(C)N(C)[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 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.40
▸ CCR2 P41597 5/20 0.40
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ MASP2 O00187 3/20 0.38
▸ BCHE P06276 1/20 0.37
▸ VNN1 O95497 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ CDK8 P49336 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK6 Q00534 1/20 0.35

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 0.91 F2 (0.40) F2CCR2OPRM1OPRL1MASP2
SCHEMBL1432382 0.90 F2 (0.40) F2CCR2OPRM1OPRL1MASP2
SCHEMBL1431749 0.88 MASP2 (0.40) F2OPRM1MASP2ROCK2
SCHEMBL1432188 0.87 MASP2 (0.39) OPRM1OPRL1MASP2ROCK2
SCHEMBL1432510 0.84 MASP2 (0.38) MASP2
SCHEMBL1432651 0.83 NAMPT (0.46) MASP2
SCHEMBL1433112 0.83 KCNQ2 (0.42) F2CCR2TACR1
SCHEMBL3155973 0.81 MAPK14 (0.45) F2MASP2
SCHEMBL1433033 0.81 MAPK14 (0.45) F2MASP2
SCHEMBL1431885 0.81 HPGD (0.39) F2MASP2BCHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP claimed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO claimed
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