SCHEMBL8945180

SCHEMBL8945180

CCNC(=O)OCC(N)COc1noc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MAOB P27338 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34

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
Hydrochloric Acid SCHEMBL8945146 0.89 FAAH (0.47) FAAHALDH1A1KMT2APSEN1PSEN2
Hydrochloric Acid SCHEMBL8945539 0.89 FAAH (0.47) FAAHALDH1A1KMT2AMAOBKDM4E
Hydrochloric Acid SCHEMBL8945157 0.88 FAAH (0.47) FAAHALDH1A1KMT2AMAOBKDM4E
Hydrochloric Acid SCHEMBL8945291 0.88 FAAH (0.46) FAAHALDH1A1KMT2AMAOBKDM4E
Hydrochloric Acid SCHEMBL8945022 0.86 FAAH (0.44) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL8945107 0.85 FAAH (0.49) FAAHALDH1A1KMT2AMAOBKDM4E
Hydrochloric Acid SCHEMBL8945060 0.84 FAAH (0.48) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL8945126 0.81 FAAH (0.48) FAAHALDH1A1KMT2AMAOBKDM4E
SCHEMBL8945123 0.81 FAAH (0.48) FAAHALDH1A1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL8945051 0.80 FAAH (0.42) 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