SCHEMBL9386404

SCHEMBL9386404

CCC(C(O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.70
MAPT P10636 4/20 0.64
GAA P10253 2/20 0.64
LMNA P02545 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39
CYP3A4 P08684 9/20 0.38
MEN1 O00255 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
SCHEMBL8931684 0.91 DGAT1 (0.60) DGAT1MAPTGAALMNAKDM4E
SCHEMBL7886309 0.89 DGAT1 (0.74) DGAT1MAPTGAALMNAKDM4E
SCHEMBL13218506 0.89 DGAT1 (0.66) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8931127 0.88 DGAT1 (0.72) DGAT1MAPTGAALMNAKDM4E
SCHEMBL7883247 0.87 DGAT1 (0.71) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8931748 0.85 DGAT1 (0.71) DGAT1MAPTGAALMNAKDM4E
SCHEMBL9282291 0.85 DGAT1 (0.62) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8756019 0.85 DGAT1 (0.69) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8931733 0.85 DGAT1 (0.62) DGAT1MAPTGAALMNAKDM4E
SCHEMBL8755567 0.85 DGAT1 (0.69) DGAT1MAPTGAALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331232-B1 5-lipoxygenase inhibiting 4-(4-phenyl-1-piperazinyl)phenols JANSSEN PHARMACEUTICA NV (BE) 1994-05-18 EP disclosed
US-4931444-A FOR LEUKOTRIENE-MEDIATED DISEASES AND DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-05 US disclosed