SCHEMBL8931699

SCHEMBL8931699

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCC(c4ccc(OC)c(OC)c4)CC3)nc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
MCHR1 Q99705 9/20 0.39
CYP3A4 P08684 2/20 0.37
PDE4B Q07343 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KCNH2 Q12809 3/20 0.36
RET P07949 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR2 P41597 1/20 0.36
HIF1A Q16665 1/20 0.36
F10 P00742 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
SCHEMBL8931744 0.90 DGAT1 (0.48) DGAT1MCHR1CYP3A4POLBMAPT
SCHEMBL8931641 0.89 DGAT1 (0.44) DGAT1MCHR1CYP3A4MAPTKCNH2
Hydrochloric Acid SCHEMBL8931688 0.89 DGAT1 (0.47) DGAT1MCHR1CYP3A4POLBMAPT
SCHEMBL8931682 0.83 DGAT1 (0.48) DGAT1MCHR1CYP3A4MAPTALDH1A1
SCHEMBL8931667 0.83 DGAT1 (0.47) DGAT1CYP3A4POLBMAPTALDH1A1
SCHEMBL8927419 0.83 DGAT1 (0.47) DGAT1MCHR1CYP3A4MAPTKCNH2
SCHEMBL8931730 0.83 MAPT (0.54) DGAT1CYP3A4MAPTALDH1A1
SCHEMBL8927422 0.82 DGAT1 (0.47) DGAT1MCHR1CYP3A4MAPTKCNH2
SCHEMBL8931650 0.81 DGAT1 (0.51) DGAT1CYP3A4MAPTALDH1A1
SCHEMBL9272597 0.81 DRD2 (0.40) DGAT1MCHR1POLBKCNH2

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