SCHEMBL8318729

SCHEMBL8318729

COC(=O)OC1=C2CCCCN2C2=C(C(=O)CCC2)C1c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
WDR5 P61964 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP1 P29466 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
GPR174 Q9BXC1 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 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
SCHEMBL8317255 0.97 GAA (0.45) GAAPOLBWDR5MEN1KMT2A
SCHEMBL8318029 0.84 ALDH1A1 (0.46) GAAMEN1KMT2ACASP1ALDH1A1
SCHEMBL8319747 0.84 POLB (0.46) GAAPOLBWDR5MEN1KMT2A
SCHEMBL8319383 0.83 HPGD (0.43) GAAPOLBCASP1ALDH1A1HTT
SCHEMBL8320521 0.82 KMT2A (0.38) GAAPOLBWDR5MEN1KMT2A
SCHEMBL8319794 0.81 POLB (0.47) GAAPOLBWDR5MEN1KMT2A
SCHEMBL8468645 0.80 HPGD (0.43) GAAPOLBCASP1ALDH1A1HTT
SCHEMBL8319136 0.80 KMT2A (0.48) POLBMEN1KMT2AMAPTCA1
SCHEMBL8321322 0.79 KMT2A (0.39) GAAPOLBWDR5MEN1KMT2A
SCHEMBL8321061 0.77 HPGD (0.41) GAAPOLBCASP1ALDH1A1HTT

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-0717043-B1 Use of 1,2-bridged 1,4-dihydropyridines as selective potassium channel modulators BAYER AG (DE) 1999-11-10 EP claimed
EP-0717043-A1 Use of 1,2-bridged 1,4-dihydropyridines as selective potassium channel modulators BAYER AG (DE) 1996-06-19 EP claimed