SCHEMBL9018358

SCHEMBL9018358

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)CCCCc2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.49
P4HTM Q9NXG6 2/20 0.47
OPRM1 P35372 6/20 0.43
OPRD1 P41143 6/20 0.43
PTPN1 P18031 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
OPRK1 P41145 4/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FAAH O00519 1/20 0.39
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9018542 0.97 GABRA5 (0.49) GABRA5P4HTMOPRM1OPRD1PTPN1
SCHEMBL9018045 0.92 P4HTM (0.50) GABRA5P4HTMOPRM1OPRD1HDAC1
SCHEMBL9018368 0.92 GABRA5 (0.46) GABRA5P4HTMOPRM1OPRD1PTPN1
SCHEMBL9018394 0.91 GABRA5 (0.51) GABRA5P4HTMOPRM1OPRD1PTPN1
SCHEMBL9018043 0.89 GABRA5 (0.47) GABRA5P4HTMOPRM1OPRD1PTPN1
SCHEMBL9018160 0.88 GABRA5 (0.51) GABRA5P4HTMOPRM1OPRD1PTPN1
SCHEMBL7871588 0.87 P4HTM (0.51) GABRA5P4HTMOPRM1OPRD1PTPN1
SCHEMBL9018056 0.87 P4HTM (0.63) GABRA5P4HTMOPRM1OPRD1PTPN1
SCHEMBL7869446 0.86 GABRA5 (0.45) GABRA5P4HTMOPRM1OPRD1PTPN1
SCHEMBL9018398 0.85 GABRA5 (0.55) GABRA5P4HTMPTPN1

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