SCHEMBL8945084

SCHEMBL8945084

COCCC(N)COc1noc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
MGLL Q99685 1/20 0.52
ACHE P22303 1/20 0.38
SSTR4 P31391 1/20 0.36
CYP17A1 P05093 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
MAOB P27338 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ACACB O00763 1/20 0.34

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 SCHEMBL8945355 0.89 FAAH (0.55) FAAHMGLLACHESSTR4CYP17A1
SCHEMBL8944998 0.86 FAAH (0.58) FAAHMGLLACHESSTR4CA12
Hydrochloric Acid SCHEMBL8945358 0.85 FAAH (0.57) FAAHMGLLACHESSTR4CA12
SCHEMBL8945193 0.84 FAAH (0.45) FAAHMGLLMAPTSMN1; SMN2KCNH2
SCHEMBL8945307 0.83 FAAH (0.57) FAAHMGLLACHESSTR4CA12
SCHEMBL8945365 0.83 FAAH (0.48) FAAHMGLLACHESSTR4CA12
SCHEMBL8945055 0.81 FAAH (0.51) FAAHMGLLACHESSTR4CA12
SCHEMBL8945199 0.81 FAAH (0.51) FAAHMGLLACHESSTR4CA12
SCHEMBL8945200 0.81 FAAH (0.50) FAAHMGLLACHESSTR4CA12
SCHEMBL8945016 0.80 FAAH (0.56) FAAHMGLLACHESSTR4CA12

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