SCHEMBL8945998

SCHEMBL8945998

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
MMP8 P22894 5/20 0.36
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
TRPA1 O75762 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 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
SCHEMBL8946105 0.92 RIPK1 (0.38) RIPK1MMP8MMP1MMP9MMP13
SCHEMBL8945878 0.89 RIPK1 (0.39) RIPK1MMP8MMP1MMP9MMP13
SCHEMBL8761523 0.74 SIGMAR1 (0.47)
Hydrochloric Acid SCHEMBL9482717 0.73 SIGMAR1 (0.46)
SCHEMBL8945920 0.73 MMP1 (0.42) RIPK1MMP8MMP1MMP9MMP13
SCHEMBL8945987 0.70 MEN1 (0.46) RIPK1CXCR1CXCR2
SCHEMBL8945899 0.70 OPRK1 (0.41) RIPK1MMP8MMP1MMP9MMP13
SCHEMBL8945805 0.70 MMP8 (0.38) RIPK1MMP8MMP1MMP9MMP13
SCHEMBL8945941 0.70 RIPK1 (0.39) RIPK1MMP8OPRM1OPRD1OPRK1
SCHEMBL8945990 0.70 ALOX5 (0.36) RIPK1OPRD1CXCR1CXCR2

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