SCHEMBL7958666

SCHEMBL7958666

O=S(=O)(C#Cc1ccc(F)nc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRAF P15056 1/20 0.32
PKM P14618 1/20 0.32
HTR6 P50406 1/20 0.31
HTR2A P28223 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL7948337 0.81 FFAR1 (0.43) NPC1MTORRAB9AFFAR1ALDH1A1
SCHEMBL28281697 0.78 PKM (0.47) NPC1MTORRAB9ACA12CA1
SCHEMBL16466525 0.76 GRM5 (0.52) GRM5FFAR1
SCHEMBL7948200 0.75 NPC1 (0.59) NPC1MTORRAB9ACA12CA1
SCHEMBL28710707 0.71 NPC1 (0.46) NPC1MTORRAB9ACA12CA1
SCHEMBL28705803 0.71 CA12 (0.50) NPC1MTORRAB9ACA12CA1
SCHEMBL28715043 0.71 NPC1 (0.50) NPC1MTORRAB9ACA12CA1
SCHEMBL28281734 0.71 NPC1 (0.46) NPC1MTORRAB9ACA12CA1
SCHEMBL28281703 0.71 NPC1 (0.46) NPC1MTORRAB9ACA12CA1
SCHEMBL28708712 0.71 HSD11B1 (0.44) NPC1MTORRAB9ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071753-C 7-azabicyclo[2,2,1]-heptane and heptene derivatives as cholinergic receptor ligands UNIV VIRGINIA (US) 2001-09-26 CN disclosed
US-6255490-B1 TREATING DISORDERS ASSOCIATED WITH CHANGES IN CHOLINERGIC ACTIVITY; NON-OPIATE BASED ANALGESIC FOR MODERATE TO SEVERE PAIN EQUALLY OR EXCEEDING THE POTENCY OF OPIATE ANALGESICS, YET LACKING ADDICTIVE SIDE EFFECTS UNIVERSITY OF VIRGINIA 2001-07-03 US disclosed
US-6117889-A 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and anti-inflammatory agents UNIVERSITY OF VIRGINIA (US) 2000-09-12 US disclosed
CN-1052726-C 7-azabicyclo-[2,2,1]-heptane and-heptene derivatives as analgesics and anti-inflammatory agents UNIV VIRGINIA (US) 2000-05-24 CN disclosed
US-6060473-A 7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic receptor ligands UCB S.A. - DTB (BE) 2000-05-09 US disclosed
EP-0778835-A4 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIV VIRGINIA (US) 1999-02-03 EP disclosed
US-5817679-A ANALGESICS, ANTIINFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1998-10-06 US disclosed
CN-1163613-A 7-azabicyclo[2,2,1]-heptane and heptene derivatives as cholinergic receptor ligands UNIV VIRGINIA (US) 1997-10-29 CN disclosed
EP-0778835-A1 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1997-06-18 EP disclosed
CN-1133045-A 7-azabicyclo-[2,2,1]-heptane and-heptene derivatives as analgesics and anti-inflammatory agents UNIV VIRGINIA (US) 1996-10-09 CN disclosed
WO-1996006093-A1 7-AZABICYCLO[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1996-02-29 WO disclosed
EP-0691971-A1 7-AZABICYCLO- 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1996-01-17 EP disclosed
WO-1994022868-A1 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1994-10-13 WO disclosed