SCHEMBL8775020

SCHEMBL8775020

CCCCC1CCC(C2CCC(C(=O)Oc3cc(F)c(F)nc3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 3/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 3/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 1/20 0.32
SCN9A Q15858 1/20 0.32
PKM P14618 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
SCHEMBL8775007 1.00 MAPT (0.37) MAPTGAALMNAMAPK1HTT
SCHEMBL8775011 1.00 MAPT (0.37) MAPTGAALMNAMAPK1HTT
SCHEMBL8775027 0.97 PKM (0.36) MAPTGAALMNAMAPK1HTT
SCHEMBL8775022 0.97 PKM (0.36) MAPTGAALMNAMAPK1HTT
SCHEMBL8775023 0.97 PKM (0.36) MAPTGAALMNAMAPK1HTT
SCHEMBL8774649 0.97 MAPT (0.39) MAPTGAALMNAMAPK1HTT
SCHEMBL8774658 0.97 MAPT (0.39) MAPTGAALMNAMAPK1HTT
SCHEMBL8774795 0.93 KMT2A (0.33) MAPTGAALMNAHTTNPC1
SCHEMBL8774911 0.93 PKM (0.38) MAPTGAALMNAMAPK1HTT
SCHEMBL8774779 0.93 KMT2A (0.33) MAPTGAALMNAHTTNPC1

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