SCHEMBL8926713

SCHEMBL8926713

CCC(C(=O)c1ccc(Cl)cc1)n1ncn(-c2ccc(N3CCN(c4nccc(OC)n4)CC3)nc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.44
MAPT P10636 2/20 0.38
CYP3A4 P08684 2/20 0.38
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
IDO1 P14902 1/20 0.35
MCHR1 Q99705 1/20 0.34
P2RX7 Q99572 1/20 0.33
RAB9A P51151 1/20 0.33
MGLL Q99685 1/20 0.33
CHRM4 P08173 1/20 0.33
SCN9A Q15858 1/20 0.33
HSP90AB1 P08238 1/20 0.33
OGA O60502 1/20 0.33
PARP1 P09874 1/20 0.32
CCR4 P51679 1/20 0.32

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
SCHEMBL8927598 0.92 DGAT1 (0.52) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8926249 0.89 DGAT1 (0.51) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8927422 0.88 DGAT1 (0.47) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8927419 0.88 DGAT1 (0.47) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8931682 0.87 DGAT1 (0.48) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8931730 0.86 MAPT (0.54) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8814915 0.84 DGAT1 (0.51) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8927569 0.84 DGAT1 (0.53) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8931744 0.84 DGAT1 (0.48) DGAT1MAPTCYP3A4GAAKDM4E
SCHEMBL8814492 0.84 DGAT1 (0.48) DGAT1MAPTCYP3A4GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607932-A Heterocyclic derivatives of azolones JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-04 US disclosed