SCHEMBL8808922

SCHEMBL8808922

CC(=O)Oc1ccc(Oc2cc(OCc3ccc4ncoc4c3)cc(F)c2C#N)cc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.44
PPARD Q03181 1/20 0.44
CSF1R P07333 3/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
PPARG P37231 3/20 0.34
KIT P10721 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL8808406 0.87 MRGPRX4 (0.41) FFAR1PPARDMRGPRX4
SCHEMBL8808372 0.83 CSF1R (0.36) FFAR1PPARDCSF1RMAOAMAOB
SCHEMBL8807397 0.83 NPC1 (0.46)
SCHEMBL8810163 0.80 MRGPRX4 (0.41) MRGPRX4
SCHEMBL8808916 0.78 FFAR1 (0.46) FFAR1PPARDMAOAMAOBPPARG
SCHEMBL8119855 0.76
SCHEMBL8810000 0.72 S1PR1 (0.37) MRGPRX4
SCHEMBL8807149 0.69 NPC1 (0.48) MRGPRX4
SCHEMBL8808917 0.68 XDH (0.45) MAOBMRGPRX4
SCHEMBL8809211 0.68 MAOB (0.54) MAOBMRGPRX4

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-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP claimed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO claimed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP disclosed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO disclosed