SCHEMBL14351995

SCHEMBL14351995

CCCC[C@H]1COC(c2cccc(C3=N[C@@H](CCCC)CO3)c2)=N1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL6578393 0.85 NPC1 (0.57) NPC1MAPTALDH1A1HRH3DRD2
SCHEMBL14352056 0.85 NPC1 (0.57) NPC1MAPTALDH1A1HRH3DRD2
SCHEMBL12285362 0.79 NPC1 (0.50) NPC1MAPTALDH1A1HRH3DRD2
SCHEMBL3051865 0.79 NPC1 (0.54) NPC1MAPTALDH1A1NOS1NOS2
SCHEMBL11482680 0.76 MAOB (0.43) NPC1NOS1NOS2
SCHEMBL20181058 0.76 NOS2 (0.40) NPC1MAPTNOS1NOS2RAB9A
SCHEMBL10521892 0.76 NPC1 (0.47) NPC1MAPTALDH1A1HRH3DRD2
SCHEMBL14351756 0.75 MAPT (0.72) NPC1MAPTALDH1A1HRH3DRD2
SCHEMBL9417511 0.75 GRM2 (0.39) ALDH1A1NOS1NOS2TAAR1
SCHEMBL27866966 0.75 NOS2 (0.41) NPC1MAPTNOS1NOS2DRD2

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
US-9481756-B2 Curable composition THREEBOND FINE CHEMICAL CO., LTD. (JP) 2016-11-01 US disclosed
US-20130005854-A1 CURABLE COMPOSITION THREE BOND CO., LTD. (JP) 2013-01-03 US disclosed