SCHEMBL10179731

SCHEMBL10179731

N#Cc1ccc(NC(=O)C(O)C2OCCN(c3cccc(C(N)=O)c3OC(F)F)C2=O)cc1CN

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.52
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
GPR52 Q9Y2T5 1/20 0.31
F11 P03951 1/20 0.31
CYP3A4 P08684 1/20 0.31
CCR3 P51677 1/20 0.30

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
Hydrochloric Acid SCHEMBL1945807 0.99 F9 (0.51) F9RAF1BRAFGPR52F11
Hydrochloric Acid SCHEMBL1950546 0.94 F9 (0.51) F9RAF1BRAFF11
Hydrochloric Acid SCHEMBL1946274 0.93 F9 (0.50) F9RAF1BRAFCCR3
Hydrochloric Acid SCHEMBL1947478 0.91 F9 (0.51) F9RAF1BRAF
SCHEMBL1947208 0.89 F9 (0.48) F9RAF1BRAF
Hydrochloric Acid SCHEMBL1949147 0.83 F9 (0.49) F9F11
Hydrochloric Acid SCHEMBL1947073 0.83 F9 (0.48) F9
SCHEMBL1950488 0.82 F9 (0.47) F9RAF1BRAF
SCHEMBL1441667 0.82 F9 (0.47) F9RAF1BRAF
SCHEMBL1947701 0.81 F9 (0.46) F9RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed