SCHEMBL7955576

SCHEMBL7955576

O=S(=O)(C#Cc1cccnc1Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NFE2L2 Q16236 5/20 0.36
SLC40A1 Q9NP59 3/20 0.36
PTGS2 P35354 1/20 0.35
MET P08581 1/20 0.34
CYP2C19 P33261 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
SCHEMBL28281761 0.73 PTGS2 (0.42) FFAR1MEN1KMT2AGRM5SMN1; SMN2
SCHEMBL14975683 0.73 FFAR1 (0.60) FFAR1MEN1KMT2AGRM5SMN1; SMN2
SCHEMBL7958115 0.72 FFAR1 (0.45) FFAR1GRM5SMN1; SMN2KDM4EPKM
SCHEMBL28281689 0.71 FFAR1 (0.47) FFAR1MEN1KMT2AGRM5SMN1; SMN2
SCHEMBL28870543 0.71 ALDH1A1 (0.41) SMN1; SMN2LMNAKDM4EPKMALDH1A1
SCHEMBL28898087 0.69 GRM5 (0.50) FFAR1MEN1KMT2AGRM5SMN1; SMN2
SCHEMBL7948337 0.69 FFAR1 (0.43) FFAR1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18188087 0.69 GRM5 (0.53) FFAR1GRM5SMN1; SMN2LMNAALDH1A1
SCHEMBL8522231 0.68 FFAR1 (0.48) FFAR1MEN1KMT2AGRM5SMN1; SMN2
SCHEMBL7948044 0.68 MET (0.51) MEN1KMT2ASMN1; SMN2LMNAKDM4E

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