SCHEMBL7962213

SCHEMBL7962213

COC(=O)N1C2CCC1C(c1ccnc(Cl)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.44
SLC6A3 Q01959 12/20 0.44
SLC6A2 P23975 10/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNA1 P02708 2/20 0.43
CHRNG P07510 2/20 0.43
ITGA5 P08648 2/20 0.43
CHRNB1 P11230 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRND Q07001 2/20 0.43

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
SCHEMBL7948346 0.84 CHRNB2 (0.62) SLC6A4SLC6A3SLC6A2CHRNB2CHRNA4
SCHEMBL7959490 0.79 SLC6A3 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL9219961 0.78 SLC6A3 (0.59) SLC6A4SLC6A3SLC6A2
SCHEMBL7955583 0.77 CHRNB2 (0.44) SLC6A4SLC6A3SLC6A2CHRNB2CHRNA4
SCHEMBL7957880 0.76 SMARCA2 (0.35) SLC6A4SLC6A3SLC6A2CHRNB2CHRNA4
SCHEMBL7959231 0.76 CHRNB2 (0.48) SLC6A4SLC6A3SLC6A2CHRNB2CHRNA4
SCHEMBL10139207 0.75 CHRNB2 (0.38) CHRNB2CHRNA4
SCHEMBL7957728 0.74 IDO1 (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL10138718 0.73 CHRNB2 (0.36) CHRNB2CHRNA4
SCHEMBL24738884 0.71 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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