SCHEMBL8319794

SCHEMBL8319794

COC(=O)C1=C2CCCN2C2=C(C(=O)CCC2)C1c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
WDR5 P61964 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL8319747 0.97 POLB (0.46) POLBGAAKDM4EHPGDNPSR1
SCHEMBL8320047 0.86 KDM4E (0.48) GAAKDM4EHPGDNPSR1ALDH1A1
SCHEMBL8317255 0.84 GAA (0.45) POLBGAAKDM4EHPGDNPSR1
SCHEMBL8086890 0.83 NPSR1 (0.65) POLBGAAKDM4EHPGDNPSR1
SCHEMBL8318729 0.81 GAA (0.44) POLBGAAKDM4EHPGDNPSR1
SCHEMBL8323687 0.79 HPGD (0.55) POLBGAAKDM4EHPGDNPSR1
SCHEMBL8323187 0.78 MEN1 (0.54) POLBNPSR1MEN1KMT2ACYP3A4
SCHEMBL8192331 0.75 MEN1 (0.53) POLBNPSR1MEN1KMT2ACYP3A4
SCHEMBL8318029 0.72 ALDH1A1 (0.46) GAAKDM4EHPGDNPSR1MEN1
SCHEMBL8318492 0.69 LMNA (0.44) GAAKDM4EHPGDNPSR1MEN1

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
EP-0717043-B1 Use of 1,2-bridged 1,4-dihydropyridines as selective potassium channel modulators BAYER AG (DE) 1999-11-10 EP claimed