SCHEMBL8945878

SCHEMBL8945878

CNC(CNC(=O)C(C)(C)Cc1ccccc1)c1sccc1C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
OPRK1 P41145 3/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MMP8 P22894 4/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 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
SCHEMBL8945998 0.89 RIPK1 (0.40) RIPK1OPRK1MMP1MMP9MMP13
SCHEMBL8946105 0.87 RIPK1 (0.38) RIPK1MMP1MMP9MMP13MMP8
SCHEMBL8945920 0.81 MMP1 (0.42) RIPK1OPRK1MMP1MMP9MMP13
SCHEMBL8945941 0.78 RIPK1 (0.39) RIPK1OPRK1MMP8OPRM1OPRD1
SCHEMBL8945899 0.78 OPRK1 (0.41) RIPK1OPRK1MMP1MMP9MMP13
SCHEMBL8945836 0.75 OPRK1 (0.41) RIPK1OPRK1MMP8
SCHEMBL8945854 0.74 RIPK1 (0.40) RIPK1OPRK1MMP8OPRM1OPRD1
SCHEMBL8760252 0.73 TAAR1 (0.44)
SCHEMBL8945943 0.73 L3MBTL1 (0.44) OPRK1
Hydrochloric Acid SCHEMBL9482849 0.72 TAAR1 (0.43)

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