SCHEMBL8930583

SCHEMBL8930583

[CH2]Oc1ccc(N2CCN(c3ccc(-n4cnn(C(C)CC)c4=O)cc3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.81
LMNA P02545 2/20 0.73
KDM4E B2RXH2 1/20 0.73
ALDH1A1 P00352 1/20 0.73
GAA P10253 1/20 0.73
HTT P42858 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
DGAT1 O75907 5/20 0.56
CYP3A4 P08684 12/20 0.46
ABCB11 O95342 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
CYP8B1 Q9UNU6 2/20 0.46
MEN1 O00255 1/20 0.46
FYN P06241 1/20 0.46
ABCB1 P08183 1/20 0.46
CXCR1 P25024 1/20 0.46
TACR1 P25103 1/20 0.46
MAPK1 P28482 1/20 0.46
AVPR2 P30518 1/20 0.46
CCR4 P51679 1/20 0.46

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
SCHEMBL2548018 0.89 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL9284781 0.89 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL3120176 0.89 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL19738655 0.88 MAPT (0.81) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL19172887 0.86 MAPT (0.78) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL23678506 0.85 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL12240584 0.85 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL23355483 0.85 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL19730460 0.85 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL16975619 0.85 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA

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-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP claimed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP disclosed