SCHEMBL6831393

SCHEMBL6831393

CNCCOCCC1NC(C(N)=O)Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HRH1 P35367 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC9A3 P48764 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KCNH2 Q12809 3/20 0.32
SCN3A Q9NY46 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 4/20 0.31
OPRK1 P41145 1/20 0.31
F2 P00734 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL28296124 0.80 GAA (0.35) MTNR1AMTNR1BALDH1A1OPRM1OPRK1
SCHEMBL7995094 0.77 ALDH1A1 (0.36) MTNR1AMTNR1BALDH1A1F2
SCHEMBL3240481 0.70 PDE5A (0.37) KDM4EALDH1A1OPRM1OPRK1
SCHEMBL6831395 0.68 KMT2A (0.59) OPRM1OPRK1
SCHEMBL28873839 0.67 GAA (0.39) KCNH2SCN3AALDH1A1OPRM1
SCHEMBL7099613 0.67 GAA (0.36) HTR2AKCNH2SCN3AKDM4ELMNA
SCHEMBL5740073 0.65 PDE5A (0.37) KDM4EALDH1A1OPRM1OPRK1
SCHEMBL10505998 0.65 MAPT (0.47) MTNR1AMTNR1BKDM4EALDH1A1OPRM1
SCHEMBL9631444 0.62 MAPT (0.47) KDM4EOPRM1
SCHEMBL5319112 0.61 SLC22A1 (0.50) KDM4EOPRM1OPRK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770656-B2 NEURODEGENERATIVE DISORDERS; ANTIEPILEPTIC AND ANTIISCHEMIC AGENTS; INFERTILITY, CARDIOVASCULAR DISORDERS, RENAL HYPOXIA, HEPATITIS AND AIDS TREATMENT APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-08-03 US disclosed