SCHEMBL6346557

SCHEMBL6346557

O=c1ccccn1Cc1cn(-c2ccc(N3CCOCC3)c(F)c2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KCNH2 Q12809 7/20 0.42
RXRA P19793 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DDX3X O00571 1/20 0.40
KDM1A O60341 1/20 0.40
PIK3CD O00329 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
SCHEMBL5623713 0.84 ALDH1A1 (0.45) MAOAMAOBRXRAGRIN1GRIN2B
SCHEMBL5622845 0.80 NOTUM (0.50) MAOAMAOBRXRAGRIN1GRIN2B
SCHEMBL5622168 0.80 NOTUM (0.53) RXRAGRIN1GRIN2B
SCHEMBL6505415 0.76 NPC1 (0.45) MAOAMAOBRXRAGRIN1GRIN2B
SCHEMBL5625309 0.75 RXRA (0.66) RXRAGRIN1GRIN2B
SCHEMBL5623649 0.75 NOTUM (0.57) MAOAMAOBRXRAGRIN1GRIN2B
SCHEMBL6505411 0.75 MAOB (0.48) MAOAMAOBRXRAGRIN1GRIN2B
SCHEMBL5622557 0.75 RXRA (0.49) MAOBRXRAGRIN1GRIN2BDDX3X
SCHEMBL14527061 0.75 MAOB (0.46) MAOAMAOBRXRAGRIN1GRIN2B
SCHEMBL5623184 0.74 RXRA (0.43) MAOAMAOBRXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 US disclosed
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 US disclosed
US-6914058-B2 1-(p-(thiomorpholino)phenyl)-1,2,3-triazole derivatives DR. REDDY'S LABORATORIES, LIMITED (IN) 2005-07-05 US disclosed
EP-1467977-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. Dr. Reddy's Laboratories Ltd. (IN) 2004-10-20 EP disclosed
WO-2003059894-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. DR.REDDY'S LABORATORIES LTD. (IN) 2003-07-24 WO disclosed