SCHEMBL8945873

SCHEMBL8945873

CNC(CC(c1ccccc1)C(C)(C)C(N)=O)c1sccc1C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
NR3C1 P04150 2/20 0.35
OPRK1 P41145 2/20 0.34
CTSA P10619 1/20 0.33

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
SCHEMBL8945990 0.89 ALOX5 (0.36) ALOX5NR3C1
SCHEMBL8946099 0.87 ALOX5 (0.34) ALOX5NR3C1
SCHEMBL8945911 0.81 ALOX5 (0.36) ALOX5NR3C1OPRK1
SCHEMBL8945890 0.80 ALOX5 (0.37) ALOX5NR3C1OPRK1
SCHEMBL8945937 0.78 ALOX5 (0.36) ALOX5OPRK1
Hydrochloric Acid SCHEMBL8946104 0.76 ALOX5 (0.34) ALOX5OPRK1
SCHEMBL8945826 0.76 ROCK1 (0.40) OPRK1
SCHEMBL8945932 0.74 ITGB3 (0.39)
SCHEMBL8945850 0.74 ALDH1A1 (0.43) NR3C1OPRK1
SCHEMBL8945870 0.69 MEN1 (0.48) ALOX5

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-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed