SCHEMBL18407727

SCHEMBL18407727

C=C[C@@H](NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccc(F)c(C#N)c2)c1F)C(C)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.39
▸ ABCC9 O60706 2/20 0.35
▸ ABCC8 Q09428 2/20 0.35
▸ KCNJ11 Q14654 2/20 0.35
▸ KCNJ8 Q15842 2/20 0.35
▸ SLC10A1 Q14973 4/20 0.34
▸ AR P10275 11/20 0.33
▸ PGR P06401 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ PLA2G7 Q13093 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
SCHEMBL17700898 0.88 GRM4 (0.41) GRM4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL17700964 0.88 GRM4 (0.41) GRM4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL16257319 0.86 GRM4 (0.41) GRM4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL16257389 0.86 GRM4 (0.41) GRM4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL16257185 0.86 GRM4 (0.43) GRM4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL19825540 0.84 GRM4 (0.40) GRM4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL16257204 0.84 GRM4 (0.40) GRM4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL16257270 0.84 GRM4 (0.40) GRM4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL16257263 0.83 GRM4 (0.44) GRM4ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18407949 0.82 GRM4 (0.41) GRM4ABCC9ABCC8KCNJ11KCNJ8

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
EP-3121164-A1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2017-01-25 — — EP disclosed
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