SCHEMBL7962359

SCHEMBL7962359

COC(=O)N1C2(C)C=CC1(C)C(S(=O)(=O)c1ccccc1)=C2c1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
PIK3CD O00329 5/20 0.37
PIK3CG P48736 7/20 0.36
PIK3CA P42336 3/20 0.35
PIK3CB P42338 2/20 0.35
GAA P10253 2/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.33
MTOR P42345 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7955502 0.72 NAMPT (0.39) NAMPTCYP2C9LMNAMAPK1PIK3CD
SCHEMBL7964789 0.64 PIK3CA (0.40) NAMPTCYP2C9PIK3CA
SCHEMBL2568189 0.62 ALDH1A1 (0.55) NAMPTCYP2C9LMNAMAPK1GAA
SCHEMBL30094555 0.62 ALDH1A1 (0.55) NAMPTCYP2C9LMNAMAPK1GAA
SCHEMBL7948136 0.62 LMNA (0.39) NAMPTCYP2C9LMNAMAPK1MAPT
SCHEMBL7962407 0.61 PIK3C3 (0.34) NAMPTCYP2C9LMNAGAAALDH1A1
SCHEMBL11485043 0.59 ALDH1A1 (0.40) NAMPTLMNAGAAALDH1A1MAPT
SCHEMBL11370935 0.58 HTT (0.49) NAMPTCYP2C9LMNAGAAALDH1A1
SCHEMBL2952147 0.58 KDM4E (0.50) MAPK1GAAKCNQ3KCNQ2ALDH1A1
SCHEMBL38659193 0.58 KDM4E (0.50) MAPK1GAAKCNQ3KCNQ2ALDH1A1

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