SCHEMBL8774493

SCHEMBL8774493

CCCC1CCC(c2ccc(-c3cnc(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5AP P20292 6/20 0.36
FEN1 P39748 6/20 0.36
FASN P49327 1/20 0.35
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APP P05067 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
DHODH Q02127 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
SCHEMBL8774486 1.00 CYP2C9 (0.40) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8774754 0.93 GAA (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8774761 0.93 GAA (0.35) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8774734 0.92 MAPT (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8774739 0.92 MAPT (0.36) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8774385 0.91 MAPT (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8774852 0.91 MAPT (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8774865 0.91 MAPT (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8774418 0.91 MAPT (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8774377 0.91 MAPT (0.38) CYP2C9ALDH1A1LMNAMAPTMEN1

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