SCHEMBL18408070

SCHEMBL18408070

C[C@@H](N(C)S(=O)(=O)c1cn(C2CC2)c(C(=O)Nc2ccc(F)c(C#N)c2)c1Cl)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.38
▸ SLC10A1 Q14973 12/20 0.38
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ AR P10275 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL18407934 0.88 GRM4 (0.41) GRM4SLC10A1ARNPC1RAB9A
SCHEMBL16257442 0.86 SLC10A1 (0.39) GRM4SLC10A1XDHKDM1A
SCHEMBL29972074 0.86 SLC10A1 (0.39) GRM4SLC10A1XDHKDM1A
SCHEMBL21727569 0.80 GRM4 (0.40) GRM4SLC10A1AR
SCHEMBL18408073 0.80 GRM4 (0.40) GRM4SLC10A1LMNAAR
SCHEMBL18407961 0.79 GRM4 (0.39) GRM4SLC10A1AR
SCHEMBL18407927 0.77 ENPP2 (0.39) SLC10A1LMNANPC1RAB9A
SCHEMBL21727650 0.77 GRM4 (0.37) GRM4SLC10A1AR
SCHEMBL18408034 0.76 HTT (0.44) SLC10A1LMNANPC1RAB9A
SCHEMBL21727566 0.75 CYP2C19 (0.39) SLC10A1LMNA

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
Send feedback