SCHEMBL8774680

SCHEMBL8774680

CCCC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)nc3F)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 3/20 0.35
MAPK1 P28482 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ESR2 Q92731 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL8774687 1.00 MEN1 (0.35) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL8775182 0.96 MAPT (0.37) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL8775186 0.96 MAPT (0.37) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL8774241 0.95 MAPT (0.39) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL8774243 0.95 MAPT (0.39) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL8774806 0.93 CYP2C9 (0.41) MEN1KMT2AMAPTMAPK1CYP2C9
SCHEMBL11114552 0.89 CYP2C9 (0.41) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL11114554 0.89 CYP2C9 (0.41) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL9153725 0.88 MEN1 (0.35) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL9153733 0.88 MEN1 (0.35) MEN1KMT2AMAPTGAAMAPK1

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