SCHEMBL6561647

SCHEMBL6561647

CN(C)c1ccccc1CCC[AlH2]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
GLI1 P08151 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33

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
SCHEMBL2903423 0.82 LIPG (0.48) LIPGCYP3A4CYP2D6SIGMAR1
SCHEMBL5223768 0.80 LIPG (0.56) LIPG
SCHEMBL5499862 0.80 LIPG (0.56) LIPG
SCHEMBL31122848 0.80 LIPG (0.56) LIPG
SCHEMBL8676051 0.80 GAA (0.39) ARGAAMAPTALDH1A1TP53
SCHEMBL5228295 0.80 LIPG (0.56) LIPG
SCHEMBL5424386 0.80 LIPG (0.56) LIPG
SCHEMBL7196354 0.80 AR (0.40) ARGAAMAPTALDH1A1TP53
SCHEMBL7494585 0.80 AR (0.36) ARGAAMAPTALDH1A1TP53
SCHEMBL28796038 0.80 BCHE (0.40) ARGAAMAPTALDH1A1TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1132409-B1 Catalyst systems for the Ziegler-Natta-Olefin-Polymerisation MERCK PATENT GMBH (DE) 2004-06-30 EP claimed