SCHEMBL8931684

SCHEMBL8931684

CCC(C(O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)nc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.60
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP3A4 P08684 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCHR1 Q99705 3/20 0.38
ME2 P23368 3/20 0.37
ME1 P48163 3/20 0.37
ME3 Q16798 3/20 0.37
KCNH2 Q12809 2/20 0.36
DRD4 P21917 1/20 0.36
HTR2C P28335 1/20 0.36
DEGS1 O15121 1/20 0.35
PANK3 Q9H999 1/20 0.35

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
SCHEMBL9386404 0.91 DGAT1 (0.70) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8931765 0.91 DGAT1 (0.60) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL9279579 0.91 DGAT1 (0.60) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL8809855 0.89 DGAT1 (0.57) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL7717358 0.89 DGAT1 (0.61) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL7717362 0.89 DGAT1 (0.61) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL9285627 0.88 DGAT1 (0.55) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL9285624 0.88 DGAT1 (0.55) DGAT1MAPTKDM4EALDH1A1LMNA
SCHEMBL7893726 0.88 DGAT1 (0.54) DGAT1MAPTKDM4EALDH1A1LMNA
Water SCHEMBL8931192 0.88 DGAT1 (0.60) DGAT1MAPTKDM4EALDH1A1LMNA

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 3 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 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