SCHEMBL8797927

SCHEMBL8797927

CCCCCCCCC1C(C(=O)OCCN2CCN(Cc3cccnc3)CC2)=C(C)NC(C)=C1C(=O)OCCN1CCN(Cc2cccnc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL8797462 0.83 LMNA (0.51) KMT2ALMNAMAPTALDH1A1L3MBTL1
SCHEMBL8797114 0.83 LMNA (0.51) KMT2ALMNAMAPTALDH1A1L3MBTL1
SCHEMBL8797103 0.83 LMNA (0.51) KMT2ALMNAMAPTALDH1A1L3MBTL1
SCHEMBL8797106 0.82 LMNA (0.49) KMT2ALMNAGAAMAPTKDM4E
SCHEMBL8655419 0.80 KDM4E (0.42) GAAPKMMAPTKDM4EALDH1A1
SCHEMBL8797141 0.79 L3MBTL1 (0.49) LMNAGAAKDM4EALDH1A1L3MBTL1
SCHEMBL8797176 0.76 LMNA (0.52) LMNAGAAKDM4EALDH1A1L3MBTL1
SCHEMBL8796913 0.71 CHRNA7 (0.52) ALDH1A1
SCHEMBL8656020 0.71 HSD17B10 (0.45) KMT2ALMNAMAPTALDH1A1DRD2
SCHEMBL8797402 0.68 CHRNA7 (0.53)

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-0801065-A1 1,4-DIHYDROPYRIDINE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1997-10-15 EP disclosed