SCHEMBL6983293

SCHEMBL6983293

Nc1c(F)c(N2C[C@@H]3NCCO[C@@H]3C2)c(F)c2c1c(=O)c(OC(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CACNA1D Q01668 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HRH4 Q9H3N8 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6983582 1.00 CACNA1F (0.40) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9411018 0.90 POLB (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9411223 0.90 POLB (0.51) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6971668 0.88 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6971683 0.88 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6971662 0.88 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6982476 0.88 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6982464 0.88 KCNH2 (0.54) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6974626 0.85 MEN1 (0.45) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7615791 0.85 KDM4E (0.40) POLBKCNH2MEN1KMT2AKDM4E

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-0603887-B1 Bicyclic amine derivatives DAIICHI SEIYAKU CO (JP) 2003-10-01 EP claimed