Sugi Predict

Sugi Predict / Compounds / SCHEMBL8945282

SCHEMBL8945282

SCHEMBL8945282

Clc1ccc2onc(OCC(Cc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)NC(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 15/20 0.38
▸ FAAH O00519 1/20 0.32
▸ NMBR P28336 1/20 0.32
▸ KCNH2 Q12809 1/20 0.30
▸ SCN5A Q14524 1/20 0.30

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
SCHEMBL8945174 0.81 FAAH (0.40) FAAHKCNH2SCN5A
SCHEMBL8945245 0.81 FAAH (0.40) FAAHKCNH2SCN5A
SCHEMBL8944910 0.80 FAAH (0.39) FAAHKCNH2SCN5A
SCHEMBL8944985 0.73 FAAH (0.38) FAAHKCNH2SCN5A
SCHEMBL8944989 0.73 FAAH (0.38) FAAHKCNH2SCN5A
SCHEMBL4904608 0.71 SIRT2 (0.45) SIRT2NMBR
SCHEMBL14005718 0.71 SIRT2 (0.45) SIRT2NMBR
SCHEMBL8945225 0.70 FAAH (0.35) FAAHKCNH2SCN5A
SCHEMBL8945316 0.67 SCN4A (0.53) FAAHKCNH2SCN5A
SCHEMBL8945252 0.66 SCN4A (0.51) FAAHKCNH2SCN5A

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