SCHEMBL6604767

SCHEMBL6604767

CC(C=O)c1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALPL P05186 4/20 0.36
APP P05067 1/20 0.35
SLC6A4 P31645 1/20 0.34
APLNR P35414 4/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
PTPN1 P18031 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
RRM1 P23921 1/20 0.32
RRM2B Q7LG56 1/20 0.32
IDH1 O75874 1/20 0.31

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
SCHEMBL28755485 0.88 HRH4 (0.37) HRH4MAOAMAOBALPLAPP
SCHEMBL12868653 0.82 HRH4 (0.43) HRH4MAOAMAOBALPLSLC6A4
SCHEMBL13331730 0.81 LPAR1 (0.41) APLNR
SCHEMBL27757778 0.81 HRH4 (0.42) HRH4MAOAMAOBALPLAPP
SCHEMBL27624241 0.78 KCNK3 (0.44) APPSLC6A4KCNK3KCNK9
SCHEMBL24221050 0.77 HRH4 (0.40) HRH4MAOAMAOBALPLSLC6A4
SCHEMBL6442565 0.74 MAOA (0.37) HRH4MAOAMAOBALPLSLC6A4
SCHEMBL27747529 0.74 APLNR (0.48) APLNR
SCHEMBL28758201 0.73 APP (0.37) ALPLAPPSLC6A4
SCHEMBL21735199 0.72 ALPL (0.39) HRH4MAOAMAOBALPLKCNK3

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-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed