SCHEMBL9968117

SCHEMBL9968117

Cn1c2ncccc2c2ccc(C3C4CC5CC(C4)CC3C5)nc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.39
HSD11B1 P28845 2/20 0.37
TNKS O95271 1/20 0.37
CNR2 P34972 5/20 0.35
CNR1 P21554 2/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
HTR3A P46098 7/20 0.34
PDE10A Q9Y233 2/20 0.33

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
SCHEMBL1609990 0.72 FEN1 (0.56) FEN1TNKSEGFRSRC
SCHEMBL9968058 0.68 PDE10A (0.30) PDE10A
SCHEMBL27961125 0.65 FLT3 (0.45)
Bromide SCHEMBL28146019 0.64 FLT3 (0.44)
SCHEMBL9968056 0.62 HSD11B1 (0.32) HSD11B1PDE10A
SCHEMBL25703712 0.62 CYP3A4 (0.44) FEN1TNKSCNR2CNR1EGFR
SCHEMBL280139 0.62 GPR3 (0.58) FEN1EGFRSRCPDE10A
SCHEMBL2628320 0.62 FEN1 (0.49) FEN1TNKSEGFRSRC
SCHEMBL2628310 0.61 FEN1 (0.45) FEN1TNKSEGFRSRCPDE10A
SCHEMBL28812736 0.61 NPC1 (0.45) PDE10A

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed