SCHEMBL3125795

SCHEMBL3125795

c1cc2c(c(NC3CC[N]CC3)c1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.48
▸ GRIN2D O15399 1/20 0.48
▸ GRIN3B O60391 1/20 0.48
▸ GRIN1 Q05586 1/20 0.48
▸ GRIN2A Q12879 1/20 0.48
▸ GRIN2B Q13224 1/20 0.48
▸ GRIN2C Q14957 1/20 0.48
▸ GRIN3A Q8TCU5 1/20 0.48
▸ NISCH Q9Y2I1 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ THRA P10827 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9226612 0.85 KDM4E (0.51) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25042203 0.77 NISCH (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30279129 0.77 NISCH (0.47) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2093106 0.73 GAA (0.44) ALDH1A1LMNAGAA
SCHEMBL3243898 0.73 BCL2L1 (0.40) BCL2L1BAD
SCHEMBL31206220 0.73 TRPV1 (0.55) SIGMAR1NISCHALDH1A1LMNAMEN1
SCHEMBL7905159 0.73 BCL2L1 (0.54) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12101466 0.73 MEN1 (0.56) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2087914 0.73 MAPT (0.41) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2095040 0.70 CNR2 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO disclosed
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