SCHEMBL8944953

SCHEMBL8944953

NC(=O)CCC(N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ3 P48549 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 3/20 0.34
KCNH2 Q12809 2/20 0.33
MAOB P27338 1/20 0.33
SCN5A Q14524 1/20 0.32
PTGER1 P34995 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
HTR2A P28223 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
SCHEMBL8945144 0.88 FAAH (0.50) FAAHALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL8945107 0.87 FAAH (0.49) FAAHALDH1A1KMT2ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8945060 0.86 FAAH (0.48) FAAHALDH1A1KMT2ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL8945062 0.86 FAAH (0.46) FAAHALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL8944901 0.83 FAAH (0.46) FAAHALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL8945301 0.83 FAAH (0.44) FAAHKMT2ASMN1; SMN2TP53ALOX15
SCHEMBL8945066 0.83 FAAH (0.48) FAAHALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL8945193 0.82 FAAH (0.45) FAAHALDH1A1KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8945297 0.82 FAAH (0.47) FAAHALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL8945123 0.81 FAAH (0.48) FAAHALDH1A1KMT2ASMN1; SMN2TP53

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