SCHEMBL9018345

SCHEMBL9018345

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)Cc3ccccc3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
P4HTM Q9NXG6 3/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RAB9A P51151 4/20 0.38

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
SCHEMBL9018198 0.94 OPRM1 (0.40) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL9018129 0.93 CA1 (0.46) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL9018406 0.92 RAB9A (0.45) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL9018343 0.92 CA1 (0.43) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL9018495 0.92 POLB (0.43) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL9018435 0.91 ALDH1A1 (0.39) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL9018301 0.91 CA1 (0.41) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL9018066 0.90 RAB9A (0.48) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL9018505 0.88 MAPT (0.50) OPRM1OPRD1OPRK1CA1CA2
SCHEMBL9018288 0.88 CA1 (0.43) OPRM1OPRD1OPRK1CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed