SCHEMBL8440708

SCHEMBL8440708

CN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(C=Cc3cccc(Cl)c3)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.42
LSS P48449 1/20 0.38
GRM5 P41594 2/20 0.38
PDE4B Q07343 3/20 0.37
KCNH2 Q12809 2/20 0.37
QRFPR Q96P65 2/20 0.37
CYP2D6 P10635 1/20 0.37
KCNE1 P15382 1/20 0.37
SCN5A Q14524 1/20 0.37
MTHFD1 P11586 1/20 0.37
MTHFD2 P13995 1/20 0.37
GPR183 P32249 2/20 0.36
HSD11B1 P28845 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8440702 1.00 SNCA (0.42) SNCALSSGRM5PDE4BKCNH2
Hydrochloric Acid SCHEMBL8435601 0.99 SNCA (0.42) SNCALSSGRM5PDE4BKCNH2
Hydrochloric Acid SCHEMBL8435604 0.99 SNCA (0.42) SNCALSSGRM5PDE4BKCNH2
SCHEMBL8437892 0.93 SNCA (0.42) SNCALSSPDE4BKCNH2QRFPR
SCHEMBL8437886 0.93 SNCA (0.42) SNCALSSPDE4BKCNH2QRFPR
SCHEMBL8439613 0.93 LSS (0.44) SNCALSSGRM5PDE4BKCNH2
SCHEMBL8439610 0.93 LSS (0.44) SNCALSSGRM5PDE4BKCNH2
Hydrochloric Acid SCHEMBL8437164 0.92 SNCA (0.42) SNCALSSPDE4BKCNH2QRFPR
Hydrochloric Acid SCHEMBL8437160 0.92 SNCA (0.42) SNCALSSPDE4BKCNH2QRFPR
Hydrochloric Acid SCHEMBL8440753 0.92 LSS (0.43) SNCALSSGRM5PDE4BKCNH2

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
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed