SCHEMBL8945395

SCHEMBL8945395

NC(=O)CC(N)COc1noc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
SSTR4 P31391 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ACHE P22303 1/20 0.38
HIF1A Q16665 5/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
MAOB P27338 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38

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
SCHEMBL8944960 0.88 FAAH (0.45) FAAHMGLLSSTR4SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8945510 0.87 FAAH (0.44) FAAHMGLLSSTR4SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8945261 0.87 FAAH (0.44) FAAHMGLLSSTR4SMN1; SMN2NPC1
SCHEMBL8945301 0.87 FAAH (0.44) FAAHMGLLSSTR4SMN1; SMN2NPC1
SCHEMBL8945144 0.83 FAAH (0.50) FAAHSMN1; SMN2MAOBCYP1A2TP53
Hydrochloric Acid SCHEMBL8945364 0.83 FAAH (0.42) FAAHMGLLSSTR4SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8945101 0.82 FAAH (0.49) FAAHMGLLSSTR4SMN1; SMN2NPC1
SCHEMBL8945049 0.81 ACHE (0.40) FAAHMGLLSSTR4SMN1; SMN2NPC1
SCHEMBL8945200 0.81 FAAH (0.50) FAAHMGLLSSTR4SMN1; SMN2NPC1
SCHEMBL8945307 0.81 FAAH (0.57) FAAHMGLLSSTR4SMN1; SMN2ACHE

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-5578627-A FOR TREATING CEREBRAL CIRCULATORY DISORDER, HEAD INJURY SEQUELAE AND/OR EPILEPSY TOYAMA CHEMICAL CO., LTD. (JP) 1996-11-26 US disclosed
EP-0665226-A1 NOVEL 1,2-BENZISOXAZOLE DERIVATIVE OR SALT THEREOF, AND BRAIN PROTECTIVE AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1995-08-02 EP disclosed