SCHEMBL8775178

SCHEMBL8775178

CCc1ccc(-c2ccc(-c3cnc(Cl)c(Cl)c3)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 8/20 0.38
ALOX5AP P20292 7/20 0.38
GRM2 Q14416 4/20 0.38
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
FYN P06241 1/20 0.35
DGAT1 O75907 1/20 0.35
CHKA P35790 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL8774671 0.90 NPC1 (0.42) FEN1ALOX5APGRM2GRIN1GRIN2B
SCHEMBL8774995 0.87 RARB (0.46) GRM2
SCHEMBL8774917 0.86 RARB (0.51)
SCHEMBL8774831 0.85 RARB (0.53) HTR2A
SCHEMBL8774251 0.85 RARB (0.53) HTR2A
SCHEMBL8774839 0.84 EGLN1 (0.45) TDP1EGLN1
SCHEMBL9162398 0.83 MAPT (0.39) FEN1ALOX5APGRM2CHKAHTR2A
SCHEMBL19007867 0.79 RARB (0.43) GRM2DGAT1CHKAHTR2A
SCHEMBL13253648 0.79 RARB (0.43) GRM2DGAT1CHKAHTR2A
SCHEMBL8774798 0.76 FEN1 (0.40) FEN1ALOX5APGRM2EGLN1CHKA

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed