SCHEMBL11002249

SCHEMBL11002249

CCOC(=O)N1CCC(OCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
CYP2C19 P33261 2/20 0.58
L3MBTL1 Q9Y468 3/20 0.56
BRD4 O60885 1/20 0.54
TSHR P16473 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.53
BCHE P06276 1/20 0.52
HTT P42858 1/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52

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
SCHEMBL15950985 0.95 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15950984 0.95 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15940792 0.95 MEN1 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2977297 0.92 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12425238 0.90 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2009867 0.87 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3249107 0.84 STS (0.58) SMN1; SMN2NPC1RAB9AGAAHTT
SCHEMBL27147392 0.84 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL27358972 0.84 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL29223478 0.83 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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
US-4529730-A Antidepressants SYNTHELABO (FR) 1985-07-16 US disclosed