SCHEMBL7878324

SCHEMBL7878324

CCOC(=O)N1CCN(c2ccc(-n3cnn(C(CC)C(O)c4ccc(Cl)cc4)c3=O)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 5/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
SMO Q99835 1/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PANK3 Q9H999 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7717362 0.91 DGAT1 (0.61) DGAT1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL7717358 0.91 DGAT1 (0.61) DGAT1SMN1; SMN2LMNAMAPTALDH1A1
Water SCHEMBL8931192 0.90 DGAT1 (0.60) DGAT1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL7883247 0.90 DGAT1 (0.71) DGAT1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL8931684 0.87 DGAT1 (0.60) DGAT1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL8809855 0.86 DGAT1 (0.57) DGAT1SMN1; SMN2HPGDLMNAMAPT
SCHEMBL8815535 0.85 DGAT1 (0.53) DGAT1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL7893726 0.85 DGAT1 (0.54) DGAT1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL8755552 0.85 DGAT1 (0.59) DGAT1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL9285996 0.84 DGAT1 (0.54) DGAT1SMN1; SMN2LMNAMAPTALDH1A1

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