SCHEMBL12856425

SCHEMBL12856425

Cc1c(Cl)nn(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
SLC34A1 Q06495 2/20 0.45
TDP2 O95551 1/20 0.43
PDE2A O00408 7/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KIF11 P52732 1/20 0.39
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
PDE5A O76074 1/20 0.38

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
SCHEMBL12856369 0.85 NPC1 (0.40) GRM5CNR1KDM4ENPC1RAB9A
SCHEMBL14996669 0.83 PDE2A (0.49) GRM5SLC34A1TDP2PDE2AKDM4E
SCHEMBL12859333 0.81 TDP2 (0.39) GRM5SLC34A1TDP2PDE2ACNR1
SCHEMBL14996540 0.81 L3MBTL1 (0.44) GRM5SLC34A1TDP2CNR1KDM4E
SCHEMBL14996602 0.81 CNR1 (0.48) GRM5SLC34A1TDP2PDE2ACNR1
SCHEMBL20074764 0.81 GRM5 (0.47) GRM5SLC34A1TDP2PDE2AKDM4E
SCHEMBL12871648 0.80 SLC34A1 (0.41) GRM5SLC34A1TDP2PDE2ASIGMAR1
SCHEMBL14996671 0.79 HSD11B1 (0.43) PDE2A
SCHEMBL14996665 0.78 NR1H2 (0.44) GRM5SLC34A1KDM4ENPC1RAB9A
SCHEMBL13066524 0.77 MEN1 (0.46) GRM5SLC34A1TDP2PDE2ACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2281810-B1 AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF SINOCHEM CORP (CN) 2014-02-19 EP disclosed
US-8455398-B2 Amide compounds, preparation methods and uses thereof SINOCHEM CORPORATION (CN) 2013-06-04 US disclosed
EP-2281810-A1 AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Sinochem Corporation (CN) 2011-02-09 EP disclosed