SCHEMBL4752076

SCHEMBL4752076

Clc1ncnc2c1ncn2CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
P2RX7 Q99572 2/20 0.41
FGFR1 P11362 8/20 0.41
FGFR4 P22455 8/20 0.41
HDAC6 Q9UBN7 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ADORA2A P29274 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA1 P30542 2/20 0.37
ADORA2B P29275 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NSD2 O96028 1/20 0.36
NSD3 Q9BZ95 1/20 0.36

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
SCHEMBL4751440 0.86 CYP11B1 (0.47) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL4750901 0.83 P2RX7 (0.41) P2RX7HDAC6CYP11B1CYP11B2
SCHEMBL11596393 0.74 FDPS (0.54) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL4750863 0.73 PI4KA (0.69) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL11596726 0.73 ADORA2A (0.68) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL14022232 0.73 FGFR1 (0.37) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL23436498 0.72 ADORA2A (0.66) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL9741153 0.72 ADORA2A (0.66) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL11596860 0.72 FDPS (0.52) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL15453238 0.72 FDPS (0.52) FDPSP2RX7FGFR1FGFR4HDAC6

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
WO-2008131502-A2 ANTIVIRAL COMPOUNDS OF THE ADAMANTANE TYPE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-06 WO claimed
WO-2008131502-A2 ANTIVIRAL COMPOUNDS OF THE ADAMANTANE TYPE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-06 WO disclosed