SCHEMBL1119331

SCHEMBL1119331

O=c1[nH]c2cc3c(cc2o1)CCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
KMO O15229 1/20 0.53
NOS1 P29475 4/20 0.46
NOS3 P29474 3/20 0.46
NOS2 P35228 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRA2A P08913 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OGT O15294 1/20 0.42
DAO P14920 1/20 0.42

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
SCHEMBL14518242 0.96 KMO (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31164773 0.81 KMO (0.46) KMONOS1NOS3NOS2TSHR
SCHEMBL10653075 0.78 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30295627 0.77 KMO (0.68) KMONOS1NOS3NOS2TSHR
SCHEMBL6339351 0.77 KMO (0.49) KMONOS1NOS3NOS2TSHR
SCHEMBL31164747 0.70 ESR1 (0.51) KMOCREBBP
SCHEMBL9679621 0.69 KMO (0.59) KMONOS1NOS3NOS2TSHR
SCHEMBL11256608 0.69 KMO (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2549381 0.69 KMO (0.59) KMONOS1NOS3NOS2TSHR
SCHEMBL9680309 0.69 KMO (0.59) KMONOS1NOS3NOS2TSHR

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-2280766-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS CytoPathfinder, Inc. (JP) 2011-02-09 EP claimed
WO-2010129843-A1 DIHYDRONAPHTHYRIDINYL AND RELATED COMPOUNDS FOR USE IN TREATING OPHTHALMOLOGICAL DISORDERS CYTOPATHFINDER, INC. (JP) 2010-11-11 WO claimed
WO-2009076512-A1 CARBOXAMIDΞ COMPOUNDS AND THEIR USE AS CHEMOKINE RECEPTOR AGONISTS EPIX DELAWARE, INC. (US) 2009-06-18 WO claimed