SCHEMBL8931733

SCHEMBL8931733

CCC(C(O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccc(OC)nc4)CC3)cc2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.62
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
OGA O60502 1/20 0.38
CYP3A4 P08684 11/20 0.37
ABCG2 Q9UNQ0 3/20 0.37
ABCB11 O95342 2/20 0.37
CYP8B1 Q9UNU6 2/20 0.37
MEN1 O00255 1/20 0.37
FYN P06241 1/20 0.37
ABCB1 P08183 1/20 0.37
CXCR1 P25024 1/20 0.37
TACR1 P25103 1/20 0.37
MAPK1 P28482 1/20 0.37
AVPR2 P30518 1/20 0.37

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
SCHEMBL9282291 1.00 DGAT1 (0.62) DGAT1MAPTLMNAKDM4EALDH1A1
SCHEMBL8931644 0.86 DGAT1 (0.64) DGAT1MAPTLMNAKDM4EALDH1A1
SCHEMBL8931756 0.86 DGAT1 (0.60) DGAT1MAPTLMNAKDM4EALDH1A1
SCHEMBL9286646 0.86 DGAT1 (0.64) DGAT1MAPTLMNAKDM4EALDH1A1
SCHEMBL9386404 0.85 DGAT1 (0.70) DGAT1MAPTLMNAKDM4EALDH1A1
SCHEMBL7886309 0.83 DGAT1 (0.74) DGAT1MAPTLMNAKDM4EALDH1A1
SCHEMBL8931684 0.83 DGAT1 (0.60) DGAT1MAPTLMNAKDM4EALDH1A1
SCHEMBL8931715 0.83 DGAT1 (0.55) DGAT1MAPTLMNAKDM4EALDH1A1
SCHEMBL13218506 0.83 DGAT1 (0.66) DGAT1MAPTLMNAKDM4EALDH1A1
SCHEMBL7883247 0.82 DGAT1 (0.71) DGAT1MAPTLMNAKDM4EALDH1A1

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
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US claimed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP claimed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 WO claimed
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 WO disclosed