SCHEMBL8319136

SCHEMBL8319136

COC(=O)OC1=C2CCCCN2C2=C(C(=O)CCC2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CYP3A4 P08684 4/20 0.46
CYP2C9 P11712 4/20 0.46
ELANE P08246 3/20 0.46
LMNA P02545 3/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
HIF1A Q16665 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 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
SCHEMBL8323888 0.97 KMT2A (0.49) KMT2AMEN1CYP3A4CYP2C9ELANE
SCHEMBL8192331 0.86 MEN1 (0.53) KMT2AMEN1CYP3A4CYP2C9ELANE
SCHEMBL8323187 0.84 MEN1 (0.54) KMT2AMEN1CYP3A4CYP2C9ELANE
SCHEMBL8318729 0.80 GAA (0.44) KMT2AMEN1CYP3A4CYP2C9CA1
SCHEMBL8321322 0.73 KMT2A (0.39) KMT2AMEN1CYP3A4CYP2C9LMNA
SCHEMBL11724369 0.72 MAPT (0.55) KMT2AMEN1CYP3A4CYP2C9LMNA
SCHEMBL5233956 0.72 KMT2A (0.58) KMT2AMEN1CYP3A4CYP2C9ELANE
SCHEMBL11686018 0.71 KMT2A (0.56) KMT2AMEN1CYP3A4CYP2C9ELANE
SCHEMBL10652678 0.71 CYP1A2 (0.49) KMT2AMEN1CYP3A4CYP2C9LMNA
SCHEMBL10652165 0.70 CYP1A2 (0.48) KMT2AMEN1CYP3A4CYP2C9LMNA

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 5 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
EP-0717043-B1 Use of 1,2-bridged 1,4-dihydropyridines as selective potassium channel modulators BAYER AG (DE) 1999-11-10 EP disclosed
EP-0924211-A2 1,2 bridged 1,4-dihydropyridines as selective potassium channel modulators Bayer Aktiengesellschaft (DE) 1999-06-23 EP disclosed
EP-0717043-A1 Use of 1,2-bridged 1,4-dihydropyridines as selective potassium channel modulators BAYER AG (DE) 1996-06-19 EP disclosed