SCHEMBL7962404

SCHEMBL7962404

CC(C)(C)OC(=O)N1C2CCC1C(S(=O)(=O)c1ccccc1)=C2c1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
CPT2 P23786 2/20 0.38
CPT1A P50416 2/20 0.38
USP30 Q70CQ3 4/20 0.36
SFRP1 Q8N474 2/20 0.36
HPGDS O60760 3/20 0.35
MMP13 P45452 1/20 0.35
STS P08842 1/20 0.35
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 0.35
RET P07949 1/20 0.35
HSD11B1 P28845 1/20 0.34
PIK3CG P48736 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
SCHEMBL7964789 0.84 PIK3CA (0.40) PIK3CAUSP30SFRP1HPGDSSTS
SCHEMBL7955502 0.73 NAMPT (0.39) PIK3CASFRP1PIK3CG
SCHEMBL2494858 0.72 RET (0.37) USP30KCNK3KCNK9RET
SCHEMBL7959440 0.69 CHRNB2 (0.41) PIK3CAPIK3CG
SCHEMBL4870228 0.67 ABCB1 (0.52)
SCHEMBL14074143 0.67 ABCB1 (0.52)
SCHEMBL2495603 0.65 MMP13 (0.37) MMP13STSHSD11B1
SCHEMBL2495600 0.65 MMP13 (0.37) MMP13STSHSD11B1
SCHEMBL13137753 0.65 GPR119 (0.47) STSHSD11B1
SCHEMBL2496001 0.65 CHRNB2 (0.39) KCNK3KCNK9

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