SCHEMBL6912535

SCHEMBL6912535

CC(NC(=O)c1c(C)cccc1C)=C1C=CCC(=C(C)NC(=O)c2c(C)cccc2C)N1.CC(NC(=O)c1c(C)cccc1C)=C1C=CCC(=C(C)NC(=O)c2c(C)cccc2C)N1.CC(NC(=O)c1c(C)cccc1C)=C1C=CCC(=C(C)NC(=O)c2c(C)cccc2C)N1.CC(NC(=O)c1c(C)cccc1C)=C1C=CCC(=C(C)NC(=O)c2c(C)cccc2C)N1.C[N-]C.C[N-]C.C[N-]C.[Nd+3].[Nd].[Nd].[Nd]

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 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
Hydrochloric Acid SCHEMBL6907187 0.92 SLC6A9 (0.33) SLC6A9
Fluoride Ion SCHEMBL6915194 0.92 SLC6A9 (0.32) SLC6A9
Alcohol SCHEMBL6911143 0.91 F2R (0.33) SLC6A9
SCHEMBL6915088 0.89 SLC6A9 (0.34) SLC6A9
SCHEMBL6912820 0.88 F2R (0.33) SLC6A9
SCHEMBL6911371 0.85 TAS1R3 (0.32) SLC6A9
SCHEMBL7196802 0.72 GRIN2D (0.37)
SCHEMBL7196800 0.72 GRIN2D (0.37)
SCHEMBL6915058 0.70
SCHEMBL6914326 0.66

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
WO-2004074333-A2 PROCESS FOR HOMO- OR COPOLYMERIZATIONOF CONJUGATED OLEFINES DOW GLOBAL TECHNOLOGIES INC. (US) 2004-09-02 WO disclosed