SCHEMBL4010994

SCHEMBL4010994

Oc1ccc2c(c1)NCCN2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.59
DRD4 P21917 1/20 0.59
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ESR2 Q92731 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
TYR P14679 2/20 0.37
ESR1 P03372 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
SCHEMBL25860260 0.85 DRD2 (0.48) DRD2DRD4KDM4EMEN1NPC1
SCHEMBL33917 0.75 DRD2 (0.70) DRD2DRD4ESR2DRD1
SCHEMBL29378459 0.75 DRD2 (0.70) DRD2DRD4ESR2DRD1
SCHEMBL59263 0.75 DRD2 (1.00) DRD2DRD4KDM4EMAPTESR2
SCHEMBL6712764 0.73 DRD2 (0.85) DRD2DRD4KDM4EMAPTESR2
Hydrochloric Acid SCHEMBL3900412 0.73 DRD2 (0.96) DRD2DRD4KDM4EMAPTGAA
Hydrochloric Acid SCHEMBL6844316 0.73 DRD2 (0.68) DRD2DRD4ESR2DRD1
SCHEMBL1119368 0.72 DRD2 (0.55) DRD2DRD4KDM4EMAPTGAA
SCHEMBL532839 0.72 DRD2 (0.78) DRD2DRD4KDM4EMAPTGAA
SCHEMBL29722558 0.72 DRD2 (0.78) DRD2DRD4KDM4EMAPTGAA

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
WO-2009076919-A1 TRANSPORTER FORM FOR BASE METAL PARTICLES AND USE THEREOF ECKA GRANULATE GMBH & CO. KG (DE) 2009-06-25 WO disclosed
EP-1689534-A4 MAGNESIUM RICH COATINGS AND COATING SYSTEMS NDSU RES FOUNDATION (US) 2007-04-04 EP disclosed
CN-1878619-A Magnesium-Rich Coatings and Coating Systems NDSU RES FOUNDATION (US) 2006-12-13 CN disclosed
EP-1689534-A1 MAGNESIUM RICH COATINGS AND COATING SYSTEMS NDSU Research Foundation (US) 2006-08-16 EP disclosed
WO-2005051551-A1 MAGNESIUM RICH COATINGS AND COATING SYSTEMS NDSU RESEARCH FOUNDATION (US) 2005-06-09 WO disclosed