SCHEMBL5304762

SCHEMBL5304762

CN(Cc1ccc(CN2C(=O)CCc3c(C4OCCO4)cccc32)cc1)c1ccccc1.O=C1CCc2c(C3OCCO3)cccc2N1Cc1ccc(CCl)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL97869 0.96 POLB (0.40) POLBCRHBPCRHR2MEN1KMT2A
SCHEMBL97439 0.87 POLB (0.42) POLBMEN1KMT2AL3MBTL1TSHR
SCHEMBL97445 0.79 POLB (0.43) POLBMEN1KMT2AL3MBTL1DCTPP1
SCHEMBL96345 0.74 POLB (0.35) POLB
SCHEMBL98519 0.67 CHRM1 (0.37) —
SCHEMBL98295 0.67 KMT2A (0.43) MEN1KMT2AL3MBTL1ALDH1A1GAA
SCHEMBL97993 0.66 HCRTR1 (0.34) POLBL3MBTL1TSHRALDH1A1GAA
SCHEMBL98538 0.66 CXCR4 (0.40) POLBALDH1A1
SCHEMBL10568031 0.62 POLB (0.61) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18002473 0.61 CRHBP (0.38) CRHBPCRHR2KMT2AL3MBTL1TSHR

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
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