SCHEMBL8945003

SCHEMBL8945003

CC(OC(N)=O)C(N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.34
KMO O15229 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ3 P48549 1/20 0.34
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
KCNH2 Q12809 1/20 0.32
MRGPRX4 Q96LA9 1/20 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
SCHEMBL8945289 0.84 FAAH (0.48) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL8945196 0.81 FAAH (0.50) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL8945107 0.81 FAAH (0.49) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL8945029 0.81 FAAH (0.45) FAAHALDH1A1KMT2AMAOBKDM4E
Hydrochloric Acid SCHEMBL8945060 0.80 FAAH (0.48) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL8945144 0.80 FAAH (0.50) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL8945126 0.79 FAAH (0.48) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL9441478 0.79 CYP1A2 (0.54) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL8944953 0.78 FAAH (0.48) FAAHALDH1A1KMT2AMAOBKDM4E
Hydrochloric Acid SCHEMBL8945062 0.77 FAAH (0.46) FAAHALDH1A1KMT2AMAOBKDM4E

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