SCHEMBL9530047

SCHEMBL9530047

CCCC(CNc1nc(C)c(OC(=O)OCC(C)C)c(C)n1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GPR88 Q9GZN0 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PKM P14618 2/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KLK7 P49862 1/20 0.32

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
SCHEMBL9530343 0.94 POLB (0.36) MAPTNPSR1CACNA1FCACNA1DCACNA1S
SCHEMBL9528360 0.85 RAB9A (0.36) NPSR1RAB9AALOX5ALDH1A1TSHR
SCHEMBL9527810 0.84 PKM (0.39) MAPTNPSR1RAB9AALDH1A1TSHR
SCHEMBL9529753 0.82 CHRNB2 (0.39) RAB9AALDH1A1TSHRKMT2APKM
SCHEMBL9527715 0.82 MAPT (0.35) MAPTNPSR1RAB9AL3MBTL1ALDH1A1
SCHEMBL9527604 0.80 FAAH (0.36) MAPTRAB9AALDH1A1GPR88MEN1
SCHEMBL9528447 0.80 TACR3 (0.38) ALDH1A1GPR88KLK7
SCHEMBL9529632 0.80 TACR3 (0.39) RAB9AGPR88SMN1; SMN2
SCHEMBL9528551 0.79 POLB (0.38) NPSR1RAB9AALDH1A1SMN1; SMN2KLK7
SCHEMBL10367949 0.79 METAP1 (0.35) MAPTL3MBTL1ALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP claimed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US claimed
EP-0319170-B1 ACYL DERIVATIVES OF HYDROXY PYRIMIDINES PFIZER INC. (US) 1993-03-17 — — EP disclosed
US-4940712-A Derivatives of hydroxyprimidines as leukotriene synthesis inhibitors PFIZER INC. (US) 1990-07-10 — — US disclosed
WO-1989005295-A1 ACYL DERIVATIVES OF HYDROXYPYRIMIDINES PFIZER INC. (US) 1989-06-15 — — WO disclosed
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