SCHEMBL7885192

SCHEMBL7885192

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.59
MAPT P10636 7/20 0.48
LMNA P02545 6/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HTT P42858 4/20 0.48
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB11 O95342 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL7883247 0.91 DGAT1 (0.71) DGAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7889341 0.90 DGAT1 (0.62) DGAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7889343 0.90 DGAT1 (0.62) DGAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL13114778 0.87 DGAT1 (0.53) DGAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7878324 0.81 DGAT1 (0.59) DGAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7886309 0.81 DGAT1 (0.74) DGAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL13114760 0.81 DGAT1 (0.59) DGAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8931187 0.80 MAPT (0.44) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8931127 0.79 DGAT1 (0.72) DGAT1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL17249818 0.78 DGAT1 (0.69) DGAT1MAPTLMNAALDH1A1SMN1; SMN2

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 4 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