SCHEMBL8774377

SCHEMBL8774377

CCCCCCCC[C@H]1CC[C@H](c2ccc(-c3cnc(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
FASN P49327 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPK1 P28482 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
RARB P10826 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL8774411 1.00 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774385 1.00 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774865 1.00 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774418 1.00 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774852 1.00 MAPT (0.38) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774734 0.99 MAPT (0.36) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774739 0.99 MAPT (0.36) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774761 0.96 GAA (0.35) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774754 0.96 GAA (0.35) MAPTGAAALOX5APFEN1FASN
SCHEMBL8774493 0.91 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