SCHEMBL8944952

SCHEMBL8944952

CCC(N)(CC)COc1noc2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
KAT6A Q92794 1/20 0.34
MAOB P27338 1/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TP53 P04637 2/20 0.32

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
SCHEMBL8945197 0.88 FAAH (0.47) FAAHMGLLALDH1A1KMT2AKAT6A
SCHEMBL8945012 0.86 FAAH (0.50) FAAHMGLLALDH1A1KMT2AKAT6A
Hydrochloric Acid SCHEMBL8945446 0.85 FAAH (0.49) FAAHMGLLALDH1A1KMT2AKAT6A
SCHEMBL8945058 0.81 FAAH (0.57) FAAHMGLLMAOBMAPTSMN1; SMN2
SCHEMBL13481250 0.79 FAAH (0.53) FAAHMGLLALDH1A1KMT2AKAT6A
SCHEMBL12967972 0.78 FAAH (0.57) FAAHMGLLALDH1A1KMT2AHPGD
SCHEMBL8945126 0.76 FAAH (0.48) FAAHMGLLALDH1A1KMT2AMAOB
SCHEMBL5617721 0.76 FAAH (0.50) FAAHMGLLALDH1A1KMT2AHPGD
SCHEMBL14382368 0.76 FAAH (0.66) FAAHMGLLALDH1A1KMT2AHPGD
SCHEMBL8945196 0.76 FAAH (0.50) FAAHMGLLALDH1A1KMT2AMAOB

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