SCHEMBL8945013

SCHEMBL8945013

COc1ccc(C(N)COc2noc3ccc(Cl)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
SCN4A P35499 5/20 0.42
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL8944957 0.88 FAAH (0.41) FAAHALDH1A1HPGDSCN4AKCNH2
SCHEMBL8944917 0.87 FAAH (0.44) FAAHALDH1A1SCN4AKCNH2MAPT
SCHEMBL8945252 0.87 SCN4A (0.51) FAAHSCN4AKCNH2SCN5A
SCHEMBL8945141 0.86 FAAH (0.47) FAAHALDH1A1SCN4AKCNH2MAPT
Hydrochloric Acid SCHEMBL8945185 0.86 FAAH (0.44) FAAHALDH1A1SCN4AKCNH2MAPT
SCHEMBL8945444 0.86 FAAH (0.47) FAAHALDH1A1HPGDSCN4ACYP1A2
Hydrochloric Acid SCHEMBL8945073 0.85 FAAH (0.47) FAAHALDH1A1HPGDSCN4ACYP1A2
SCHEMBL8945343 0.84 FAAH (0.47) FAAHALDH1A1SCN4ACYP1A2CYP2D6
SCHEMBL8945196 0.81 FAAH (0.50) FAAHALDH1A1HPGDKCNH2MAPT
Hydrochloric Acid SCHEMBL8945140 0.80 FAAH (0.43) FAAHALDH1A1HPGDSCN4ACA1

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