SCHEMBL5449830

SCHEMBL5449830

O=C1CCc2c(C3OCCO3)cccc2N1c1ccccc1.O=C1CCc2c(cccc2C2OCCO2)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SCN1A P35498 2/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ HPGD P15428 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31

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
SCHEMBL98295 0.89 KMT2A (0.43) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL97945 0.82 NPC1 (0.42) SCN1ASCN5ASCN9ANPC1MAPK13
SCHEMBL98519 0.66 CHRM1 (0.37) DRD2DRD4DRD3KCNH2
SCHEMBL15463880 0.65 NPC1 (0.46) SCN1ASCN5ASCN9ANPC1MAPK13
SCHEMBL3054126 0.64 HPGD (0.57) MEN1KMT2AHPGDALDH1A1EPHX2
SCHEMBL97167 0.64 KMT2A (0.47) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL97439 0.63 POLB (0.42) MEN1KMT2AGAAALDH1A1
SCHEMBL22312379 0.63 SCN1A (0.44) SCN1ASCN5ASCN9ANPC1MAPK13
SCHEMBL9687967 0.62 CREBBP (0.39) SCN1ASCN5ASCN9ANPC1MAPK13
SCHEMBL11423350 0.61 MEN1 (0.50) MEN1KMT2AHPGDUSP2GAA

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
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — WO disclosed
Send feedback