SCHEMBL8931121

SCHEMBL8931121

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.53
MGLL Q99685 3/20 0.44
LMNA P02545 3/20 0.42
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 2/20 0.41
AKR1C3 P42330 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
GBA1 P04062 1/20 0.38
MCHR1 Q99705 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
SCHEMBL7878336 0.93 DGAT1 (0.53) DGAT1MGLLLMNAKDM4EALDH1A1
SCHEMBL8931691 0.90 DGAT1 (0.53) DGAT1LMNAKDM4EALDH1A1GAA
SCHEMBL8926249 0.89 DGAT1 (0.51) DGAT1LMNAKDM4EALDH1A1GAA
SCHEMBL8814915 0.89 DGAT1 (0.51) DGAT1LMNAKDM4EALDH1A1GAA
SCHEMBL8927569 0.89 DGAT1 (0.53) DGAT1LMNAKDM4EAKR1C3ALDH1A1
SCHEMBL8927053 0.89 DGAT1 (0.48) DGAT1MGLLLMNAKDM4EALDH1A1
SCHEMBL8931761 0.88 DGAT1 (0.54) DGAT1LMNAKDM4EALDH1A1GAA
SCHEMBL8814492 0.88 DGAT1 (0.48) DGAT1LMNAKDM4EALDH1A1GAA
SCHEMBL8931682 0.88 DGAT1 (0.48) DGAT1LMNAKDM4EALDH1A1GAA
SCHEMBL8813497 0.88 DGAT1 (0.48) DGAT1MGLLLMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770074-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP claimed
WO-1996001822-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-25 WO claimed
US-5637592-A TREATING HELICOBACTER INFECTIONS, SUCH AS GASTRITIS, STOMACH ULCERS, DUODENAL ULCERS AND GASTRIC CANCER JANSSEN PHARMACEUTICA N.V. (BE) 1997-06-10 US disclosed
EP-0770074-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP disclosed
WO-1996001822-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-25 WO disclosed