SCHEMBL5199115

SCHEMBL5199115

CC(C)[Si](OCc1ccc(C=Cc2cccc(C#N)c2)cc1)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.40
LCK P06239 1/20 0.39
P4HB P07237 7/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
GLA P06280 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
AKT1 P31749 1/20 0.36
MAOB P27338 1/20 0.36
PARP1 P09874 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL6333081 0.81 GLA (0.50) GLAMAOB
SCHEMBL9369232 0.79 CNR1 (0.47) FBP1P4HBCNR1CNR2PDCD1
SCHEMBL9369237 0.79 CNR1 (0.47) FBP1P4HBCNR1CNR2PDCD1
SCHEMBL6325306 0.78 CYP2A6 (0.47) MAOBPARP1NPC1GAARAB9A
SCHEMBL481324 0.77 MAOB (0.40) CNR1CNR2GLAMAOBPARP1
SCHEMBL9186668 0.76 FBP1 (0.61) FBP1P4HBMAOB
SCHEMBL21574844 0.76 FBP1 (0.61) FBP1P4HBMAOB
SCHEMBL9186663 0.76 FBP1 (0.61) FBP1P4HBMAOB
SCHEMBL481111 0.76 VNN1 (0.48)
SCHEMBL481171 0.76 MAOB (0.37) CNR1CNR2GLAMAOBPARP1

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
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed