SCHEMBL8945095

SCHEMBL8945095

NC(COc1noc2ccc(Cl)cc12)CC(=O)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
HPGD P15428 7/20 0.42
TSHR P16473 3/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 4/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 5/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8945049 0.85 ACHE (0.40) FAAHHPGDTSHRNPC1SMN1; SMN2
SCHEMBL8945144 0.83 FAAH (0.50) FAAHHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL8945066 0.78 FAAH (0.48) FAAHHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL8945107 0.78 FAAH (0.49) FAAHHPGDTSHRSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8945297 0.77 FAAH (0.47) FAAHHPGDTSHRSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8945060 0.77 FAAH (0.48) FAAHHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL8944953 0.77 FAAH (0.48) FAAHHPGDTSHRSMN1; SMN2KMT2A
SCHEMBL8945126 0.76 FAAH (0.48) FAAHHPGDSMN1; SMN2KMT2AMAPT
SCHEMBL8945327 0.76 FAAH (0.45) FAAHHPGDTSHRLMNASMN1; SMN2
SCHEMBL8945123 0.76 FAAH (0.48) FAAHHPGDTSHRLMNASMN1; 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