SCHEMBL3793299

SCHEMBL3793299

CC(N)c1cnn2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
DYRK1A Q13627 1/20 0.39
MAP4K4 O95819 2/20 0.38
JAK2 O60674 3/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
EPHB3 P54753 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KLF5 Q13887 1/20 0.36

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
SCHEMBL6748363 1.00 DRD4 (0.41) DRD4DRD3DYRK1AMAP4K4JAK2
Hydrochloric Acid SCHEMBL3703425 0.98 DRD4 (0.40) DRD4DRD3DYRK1AMAP4K4JAK2
Hydrochloric Acid SCHEMBL3795000 0.98 DRD4 (0.40) DRD4DRD3DYRK1AMAP4K4JAK2
SCHEMBL6842161 0.85 DRD4 (0.43) DRD4DRD3DYRK1AMAP4K4JAK2
SCHEMBL6608758 0.84 DRD4 (0.42) DRD4DRD3DYRK1AMAP4K4JAK2
SCHEMBL23075880 0.82 DRD4 (0.41) DRD4DRD3DYRK1AMAP4K4JAK2
SCHEMBL22360676 0.82 DRD4 (0.41) DRD4DRD3DYRK1AMAP4K4JAK2
SCHEMBL22932522 0.79 DRD4 (0.39) DRD4DRD3DYRK1AMAP4K4JAK2
SCHEMBL19115073 0.79 DRD3 (0.42) DRD4DRD3DYRK1AMAP4K4EPHB3
SCHEMBL1290770 0.79 DRD4 (0.39) DRD4DRD3DYRK1AMAP4K4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO claimed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO disclosed