SCHEMBL4451568

SCHEMBL4451568

Clc1cccc(-c2nccnn2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
P2RX7 Q99572 11/20 0.42
CNR2 P34972 3/20 0.41
GRM5 P41594 1/20 0.41
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SCN4A P35499 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE3A Q14432 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL403090 0.85 LDHA (0.47) NOTUMGRM5CYP2D6MAPK1
SCHEMBL6439475 0.82 CNR2 (0.50) NOTUMP2RX7CNR2GRM5CYP2D6
SCHEMBL17045019 0.75 CNR2 (0.47) NOTUMP2RX7CNR2GRM5CYP2D6
SCHEMBL20472405 0.72 CNR2 (0.47) NOTUMP2RX7CNR2GRM5CYP2D6
SCHEMBL4564446 0.71 GRM5 (0.42) P2RX7CNR2GRM5CYP2D6MAOA
SCHEMBL17007732 0.70 HTR2B (0.49) P2RX7CNR2IDO1
SCHEMBL440943 0.70 TSHR (0.52) NOTUMP2RX7CNR2CYP2D6MAOA
SCHEMBL404300 0.69 PBRM1 (0.47) MAPK1ADRA1AIDO1
SCHEMBL20657047 0.69 SMN1; SMN2 (0.46) MAPK1IDO1
SCHEMBL3386418 0.69 MEN1 (0.47) BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2117538-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-) Glaxo Group Limited (GB) 2009-11-18 EP disclosed
WO-2008090114-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5- (5-TRIFLUOROMETHYL-TETRAZOL-I-YL-BENZYL) - (2S-PHENYL-PIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2008-07-31 WO disclosed
EP-1513535-B1 CONTROLLED RELEASE FORMULATION OF LAMOTRIGINE TORRENT PHARMACEUTICALS LTD (IN) 2008-07-23 EP disclosed
WO-2005051350-A2 WATER DISPERSIBLE TABLET TORRENT PHARMACEUTICALS LIMITED (IN) 2005-06-09 WO disclosed
EP-1513535-A2 CONTROLLED RELEASE FORMULATION OF LAMOTRIGINE Torrent Pharmaceuticals Ltd (IN) 2005-03-16 EP disclosed
WO-2003104192-A2 CONTROLLED RELEASE FORMULATION OF LAMOTRIGINE TORRENT PHARMACEUTICALS LIMITED (IN) 2003-12-18 WO disclosed