SCHEMBL8931761

SCHEMBL8931761

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccccc4Cl)CC3)nc2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.54
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 2/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
MCHR1 Q99705 2/20 0.37
RAB9A P51151 1/20 0.36
CNR1 P21554 1/20 0.35
MAPK8 P45983 1/20 0.35
KCNH2 Q12809 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
SCHEMBL8931751 0.94 DGAT1 (0.49) DGAT1KDM4EMAPTGAAALDH1A1
SCHEMBL8931667 0.91 DGAT1 (0.47) DGAT1KDM4EMAPTGAAALDH1A1
SCHEMBL8814915 0.91 DGAT1 (0.51) DGAT1KDM4EMAPTGAAALDH1A1
SCHEMBL8926249 0.89 DGAT1 (0.51) DGAT1KDM4EMAPTGAAALDH1A1
SCHEMBL7893051 0.89 DGAT1 (0.49) DGAT1KDM4EMAPTGAAALDH1A1
SCHEMBL8931691 0.88 DGAT1 (0.53) DGAT1KDM4EMAPTGAAALDH1A1
SCHEMBL8931121 0.88 DGAT1 (0.53) DGAT1KDM4EMAPTGAAALDH1A1
SCHEMBL7878336 0.88 DGAT1 (0.53) DGAT1KDM4EMAPTGAAALDH1A1
SCHEMBL8815089 0.88 DGAT1 (0.51) DGAT1KDM4EMAPTGAAALDH1A1
SCHEMBL8927569 0.87 DGAT1 (0.53) DGAT1KDM4EMAPTGAAALDH1A1

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