SCHEMBL8945129

SCHEMBL8945129

CCC(C)(N)COc1noc2ccc(Br)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.36
MGLL Q99685 1/20 0.36
ATM Q13315 1/20 0.36
BRD4 O60885 7/20 0.34
SSTR4 P31391 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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 0.85 FAAH (0.47) FAAHMGLLSSTR4KMT2AALDH1A1
SCHEMBL8945080 0.81 FAAH (0.56) FAAHMGLLSSTR4CA12CA9
SCHEMBL12188514 0.76 FAAH (0.39) FAAHMGLLATMBRD4MEN1
SCHEMBL5618435 0.75 FAAH (0.41) FAAHMGLLATMBRD4MEN1
Hydrochloric Acid SCHEMBL6994431 0.74 FAAH (0.40) FAAHMGLLATMBRD4MEN1
SCHEMBL18063609 0.74 MEN1 (0.45) FAAHATMBRD4MEN1KMT2A
SCHEMBL8944952 0.73 FAAH (0.48) FAAHMGLLBRD4SSTR4KMT2A
SCHEMBL8945012 0.72 FAAH (0.50) FAAHMGLLSSTR4KMT2AALDH1A1
SCHEMBL8945044 0.72 FAAH (0.36) FAAHMGLLSSTR4
Hydrochloric Acid SCHEMBL8945446 0.71 FAAH (0.49) FAAHMGLLSSTR4KMT2AALDH1A1

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