SCHEMBL8931187

SCHEMBL8931187

CCOC(=O)N1CCN(c2ccc(-n3cnn(CCCC(O)c4ccc(F)cc4)c3=O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
HTR1A P08908 2/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAPK1 P28482 2/20 0.40
DRD2 P14416 2/20 0.40

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
SCHEMBL8931193 0.91 DGAT1 (0.47) MAPTLMNAGAAKDM4EMEN1
SCHEMBL8931190 0.82 SMN1; SMN2 (0.43) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL13114778 0.81 DGAT1 (0.53) MAPTLMNAGAAKDM4EMEN1
SCHEMBL7885192 0.80 DGAT1 (0.59) MAPTLMNAGAAKDM4EMEN1
SCHEMBL8931128 0.78 AKR1C3 (0.48) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL13114808 0.77 MAPT (0.60) MAPTLMNAGAAKDM4EMEN1
SCHEMBL7331958 0.75 MAPT (0.46) MAPTLMNAGAAKDM4EMEN1
SCHEMBL13114760 0.74 DGAT1 (0.59) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL9275050 0.73 HTR1A (0.40) MAPTLMNAGAAKDM4EALDH1A1
SCHEMBL9274889 0.71 MAPT (0.43) MAPTLMNAMEN1KMT2AALDH1A1

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-0754180-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-01-22 EP claimed
WO-1995027704-A1 ANTI-HELICOBACTER ESTER AND CARBAMATE DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-19 WO claimed