SCHEMBL8945159

SCHEMBL8945159

CCCCNc1ccc2onc(OCC(N)COC(N)=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
MGLL Q99685 1/20 0.35
SCN5A Q14524 2/20 0.34
ABCB11 O95342 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2B P18089 1/20 0.34
OPRD1 P41143 1/20 0.34
SYK P43405 1/20 0.33
LMNA P02545 3/20 0.33
CNR1 P21554 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
DRD4 P21917 1/20 0.33
ACHE P22303 1/20 0.33
HRH2 P25021 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
NTSR1 P30989 1/20 0.33
HRH1 P35367 1/20 0.33

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
Oxalic Acid SCHEMBL8945224 0.97 FAAH (0.34) FAAHMGLLSCN5AABCB11CYP3A4
Hydrochloric Acid SCHEMBL8945351 0.85 FAAH (0.34) FAAHSYKLMNACYP1A2MAPK1
SCHEMBL8945300 0.83 FAAH (0.37) FAAHMGLLCYP3A4LMNACYP1A2
SCHEMBL8944906 0.78 CYP1A2 (0.35) FAAHCYP3A4LMNACYP1A2KDM4E
Hydrochloric Acid SCHEMBL8945306 0.78 FAAH (0.34) FAAHLMNACYP1A2KCNH2RAB9A
SCHEMBL8945107 0.78 FAAH (0.49) FAAHSCN5ACYP1A2MAPK1KCNH2
SCHEMBL8945254 0.78 FAAH (0.34) FAAHLMNACYP1A2KCNH2KDM4E
Hydrochloric Acid SCHEMBL8945060 0.77 FAAH (0.48) FAAHSCN5ACYP1A2MAPK1KCNH2
Hydrochloric Acid SCHEMBL8945170 0.77 FAAH (0.38) FAAHLMNACYP1A2MAPK1KDM4E
SCHEMBL8945175 0.76 TBK1 (0.33) FAAHLMNACYP1A2KDM4ESMN1; SMN2

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