SCHEMBL8774739

SCHEMBL8774739

CCCCCC1CCC(c2ccc(-c3cnc(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
FASN P49327 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CYP2C9 P11712 4/20 0.33
MAPK1 P28482 3/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
PDE5A O76074 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
APP P05067 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 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
SCHEMBL8774734 1.00 MAPT (0.36) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774411 0.99 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774865 0.99 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774385 0.99 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774377 0.99 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774418 0.99 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774852 0.99 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774761 0.97 GAA (0.35) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774754 0.97 GAA (0.35) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774493 0.92 CYP2C9 (0.40) MAPTALOX5APFEN1FASNMEN1

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