SCHEMBL8774716

SCHEMBL8774716

CCCOc1ccc(CCc2cnc(F)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHFR P00374 1/20 0.41
C3AR1 Q16581 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ACACB O00763 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL8774178 0.94 CYP3A4 (0.43) LMNAL3MBTL1MAPTALDH1A1CHRNB4
SCHEMBL8774858 0.92 MEN1 (0.44) LMNAL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL8774669 0.88 NQO1 (0.44) LMNAL3MBTL1SLC5A1SLC5A2MAPT
SCHEMBL8775147 0.84 NPC1 (0.47) MAPTHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL8774481 0.81 NFKB1 (0.44) LMNAL3MBTL1MAPTALDH1A1POLB
SCHEMBL8774752 0.81 TAAR1 (0.44) LMNAL3MBTL1ALDH1A1NPSR1HSD17B10
SCHEMBL9157318 0.80 LMNA (0.50) LMNAL3MBTL1SLC5A1SLC5A2MAPT
SCHEMBL8774337 0.80 RAB9A (0.50) L3MBTL1MAPTALDH1A1HPGDHSD17B10
SCHEMBL8774833 0.80 LMNA (0.44) LMNAL3MBTL1SLC5A1SLC5A2MAPT
SCHEMBL8774239 0.79 HTR2A (0.50) LMNAL3MBTL1MAPTALDH1A1HPGD

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