SCHEMBL4751440

SCHEMBL4751440

Clc1ncnc2c1ncn2CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
FDPS P14324 1/20 0.45
P2RX7 Q99572 2/20 0.43
FGFR1 P11362 8/20 0.42
FGFR4 P22455 8/20 0.42
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
METTL3 Q86U44 1/20 0.35
METTL14 Q9HCE5 1/20 0.35
CNR2 P34972 1/20 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
SCHEMBL4752076 0.86 FDPS (0.43) CYP11B1CYP11B2FDPSP2RX7FGFR1
SCHEMBL4751437 0.83 CYP11B1 (0.47) CYP11B1CYP11B2P2RX7PI4KAPI4K2B
SCHEMBL4748530 0.82 CYP11B1 (0.46) CYP11B1CYP11B2P2RX7HDAC6CNR2
SCHEMBL14022232 0.79 FGFR1 (0.37) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL4750863 0.75 PI4KA (0.69) FDPSP2RX7FGFR1FGFR4PI4KA
SCHEMBL4748512 0.73 HPRT1 (0.51) CYP11B1CYP11B2
SCHEMBL23323404 0.71 FDPS (0.63) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL7832523 0.71 ADORA2A (0.64) FDPSP2RX7FGFR1FGFR4PI4KA
SCHEMBL6288387 0.70 NPC1 (0.52) FDPSP2RX7FGFR1FGFR4HDAC6
SCHEMBL4750901 0.69 P2RX7 (0.41) CYP11B1CYP11B2P2RX7HDAC6CNR2

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