SCHEMBL7883247

SCHEMBL7883247

CCOC(=O)N1CCN(c2ccc(-n3cnn(C(CC)C(O)c4ccc(Cl)cc4)c3=O)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.71
MAPT P10636 8/20 0.48
LMNA P02545 6/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7885192 0.91 DGAT1 (0.59) DGAT1MAPTLMNAALDH1A1GAA
SCHEMBL7878324 0.90 DGAT1 (0.59) DGAT1MAPTLMNAALDH1A1GAA
SCHEMBL7886309 0.90 DGAT1 (0.74) DGAT1MAPTLMNAALDH1A1GAA
SCHEMBL8931127 0.88 DGAT1 (0.72) DGAT1MAPTLMNAALDH1A1GAA
SCHEMBL9386404 0.87 DGAT1 (0.70) DGAT1MAPTLMNAALDH1A1GAA
SCHEMBL8931748 0.86 DGAT1 (0.71) DGAT1MAPTLMNAALDH1A1GAA
SCHEMBL8756019 0.84 DGAT1 (0.69) DGAT1MAPTLMNAALDH1A1GAA
SCHEMBL8755567 0.84 DGAT1 (0.69) DGAT1MAPTLMNAALDH1A1GAA
SCHEMBL13218506 0.84 DGAT1 (0.66) DGAT1MAPTLMNAALDH1A1GAA
SCHEMBL8756456 0.84 DGAT1 (0.81) DGAT1MAPTLMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754180-B1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA NV (BE) 2001-10-31 EP claimed
EP-0754180-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-01-22 EP claimed
WO-1995027704-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-19 WO claimed
EP-0754180-B1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA NV (BE) 2001-10-31 EP disclosed
EP-0754180-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-01-22 EP disclosed
WO-1995027704-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-19 WO disclosed