SCHEMBL7958115

SCHEMBL7958115

O=S(=O)(C#Cc1ccnc(Cl)c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
TRPA1 O75762 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GRM5 P41594 6/20 0.37
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.78 FFAR1 (0.43) FFAR1ALDH1A1HSD17B10TDP1NPC1
SCHEMBL3500649 0.78 FFAR1 (0.56) FFAR1TRPA1TDP1GRM5KCNH2
SCHEMBL28283090 0.78 HSD11B1 (0.41) ALDH1A1HSD17B10TDP1CA12CA1
SCHEMBL7948200 0.75 NPC1 (0.59) ALDH1A1HSD17B10TDP1CA12CA1
SCHEMBL28281703 0.75 NPC1 (0.46) ALDH1A1HSD17B10TDP1CA12CA1
SCHEMBL7955576 0.72 FFAR1 (0.43) FFAR1ALDH1A1HSD17B10TDP1GRM5
SCHEMBL39723 0.69 FFAR1 (0.44) FFAR1TRPA1GRM5KCNH2
SCHEMBL7958666 0.69 GRM5 (0.39) FFAR1ALDH1A1HSD17B10TDP1CA12
SCHEMBL9947880 0.69 FFAR1 (0.46) FFAR1TRPA1TDP1GRM5KCNH2
SCHEMBL28705803 0.68 CA12 (0.50) ALDH1A1TDP1CA12CA1CA2

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