SCHEMBL8945029

SCHEMBL8945029

CCC(C)C(N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.45
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 1/20 0.34
KCNH2 Q12809 2/20 0.34
SCN5A Q14524 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MGAM O43451 1/20 0.33
KAT6A Q92794 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 2/20 0.32
ALOX15 P16050 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ3 P48549 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HTR2A P28223 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
SCHEMBL8945289 0.89 FAAH (0.48) FAAHMGLLALDH1A1KMT2AMAOB
SCHEMBL8945126 0.86 FAAH (0.48) FAAHMGLLALDH1A1KMT2AMAOB
SCHEMBL8945196 0.86 FAAH (0.50) FAAHMGLLALDH1A1KMT2AMAOB
SCHEMBL8944958 0.82 FAAH (0.53) FAAHMGLLMAOBSMN1; SMN2TSHR
SCHEMBL8945047 0.81 FAAH (0.46) FAAHALDH1A1KMT2AMAOBKCNH2
SCHEMBL8944901 0.81 FAAH (0.46) FAAHMGLLALDH1A1KMT2AMAOB
SCHEMBL8945123 0.81 FAAH (0.48) FAAHMGLLALDH1A1KMT2AKCNH2
SCHEMBL8945003 0.81 FAAH (0.49) FAAHALDH1A1KMT2AMAOBKCNH2
SCHEMBL8944968 0.80 FAAH (0.47) FAAHMGLLALDH1A1KMT2AMAOB
Hydrochloric Acid SCHEMBL8945091 0.80 FAAH (0.47) FAAHMGLLALDH1A1KMT2AKCNH2

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