SCHEMBL8945990

SCHEMBL8945990

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
NR3C1 P04150 3/20 0.34
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
OPRD1 P41143 1/20 0.32
RIPK1 Q13546 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
SCHEMBL8946099 0.92 ALOX5 (0.34) ALOX5NR3C1CXCR1CXCR2OPRD1
SCHEMBL8945873 0.89 ALOX5 (0.37) ALOX5NR3C1
SCHEMBL8945911 0.73 ALOX5 (0.36) ALOX5NR3C1
SCHEMBL8945890 0.71 ALOX5 (0.37) ALOX5NR3C1OPRD1RIPK1
SCHEMBL8945987 0.70 MEN1 (0.46) ALOX5CXCR1CXCR2RIPK1
SCHEMBL8945937 0.70 ALOX5 (0.36) ALOX5RIPK1
SCHEMBL8945998 0.70 RIPK1 (0.40) CXCR1CXCR2OPRD1RIPK1
SCHEMBL8761523 0.69 SIGMAR1 (0.47)
Hydrochloric Acid SCHEMBL9482717 0.68 SIGMAR1 (0.46)
Hydrochloric Acid SCHEMBL8946104 0.68 ALOX5 (0.34) ALOX5RIPK1

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