SCHEMBL4749345

SCHEMBL4749345

NC(Cc1cccc(F)c1F)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SCN4A P35499 2/20 0.42
GNRHR P30968 5/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL3281177 0.87 DPP4 (0.47) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3281884 0.82 DPP4 (0.38) DPP4GNRHRTAAR1
SCHEMBL29191170 0.81 DPP4 (0.43) DPP4TAAR1
Iodide SCHEMBL29040390 0.79 DPP4 (0.42) DPP4TAAR1
SCHEMBL8092360 0.76 SLC6A2 (0.47) DPP4TAAR1
SCHEMBL11020316 0.74 DPP4 (0.71) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL188088 0.74 NOS3 (0.50) DPP4
SCHEMBL3282116 0.74 DPP4 (0.66) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL188089 0.74 NOS3 (0.50) DPP4
SCHEMBL21690071 0.74 NOS3 (0.50) DPP4

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
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO claimed
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO disclosed
WO-2008123821-A1 4, 5-DIHYDRO-LH-IMIDAZOL-2-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS ALBIREO AB (SE) 2008-10-16 WO disclosed