SCHEMBL8944960

SCHEMBL8944960

NC(=O)OCC(N)COc1noc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
CYP1A2 P05177 2/20 0.42
PKM P14618 2/20 0.42
CYP2D6 P10635 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SSTR4 P31391 1/20 0.40
ACHE P22303 1/20 0.37
LMNA P02545 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
MAOB P27338 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
Hydrochloric Acid SCHEMBL8945261 0.99 FAAH (0.44) FAAHMGLLSMN1; SMN2CYP1A2PKM
Hydrochloric Acid SCHEMBL8945510 0.99 FAAH (0.44) FAAHMGLLSMN1; SMN2CYP1A2PKM
SCHEMBL8945395 0.88 FAAH (0.46) FAAHMGLLSMN1; SMN2CYP1A2PKM
SCHEMBL8945301 0.86 FAAH (0.44) FAAHMGLLSMN1; SMN2CYP1A2PKM
SCHEMBL8945191 0.85 KCNH2 (0.40) SMN1; SMN2CYP1A2PKMCYP2D6NPSR1
Hydrochloric Acid SCHEMBL8945306 0.83 FAAH (0.34) FAAHSMN1; SMN2CYP1A2PKMCYP2D6
SCHEMBL8945254 0.83 FAAH (0.34) FAAHSMN1; SMN2CYP1A2PKMCYP2D6
SCHEMBL8944899 0.83 KMT2A (0.49) FAAHSMN1; SMN2CYP1A2MAOBKMT2A
SCHEMBL8944906 0.83 CYP1A2 (0.35) FAAHSMN1; SMN2CYP1A2PKMCYP2D6
SCHEMBL8945107 0.83 FAAH (0.49) FAAHSMN1; SMN2CYP1A2MAOBKDM4E

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 4 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 claimed
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 claimed
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