SCHEMBL6856971

SCHEMBL6856971

CCCC[Sn](CCCC)(CCCC)C1=CCN(C(=O)OC(C)(C)C)[C]C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
PDE4D Q08499 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
TLR8 Q9NR97 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 2/20 0.30
SPHK1 Q9NYA1 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
POLB P06746 1/20 0.30
KLK7 P49862 4/20 0.30
KLK5 Q9Y337 4/20 0.30
PRSS1 P07477 2/20 0.30
PRSS2 P07478 2/20 0.30

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
SCHEMBL7476247 0.79 PDE4D (0.35) CNR2PDE4DPDE4APDE4BPDE4C
SCHEMBL6856969 0.77 CNR2 (0.32) CNR2PDE4DPDE4APDE4BPDE4C
SCHEMBL74898 0.77 PDK4 (0.42) CNR2PDE4DPDE4APDE4BPDE4C
SCHEMBL7495078 0.75 PDK4 (0.39) CNR2PDE4DPDE4APDE4BPDE4C
SCHEMBL7494927 0.73 USP2 (0.38) CNR2PDE4DPDE4APDE4BPDE4C
SCHEMBL7468708 0.72 PDE4D (0.33) CNR2PDE4DPDE4APDE4BPDE4C
SCHEMBL2649144 0.67 GPR119 (0.37) CNR2PDE4DPDE4APDE4BPDE4C
SCHEMBL31640445 0.66 GPR119 (0.53) MEN1KMT2AMAPTGPR119ALDH1A1
SCHEMBL16427394 0.65 GPR119 (0.54) MEN1KMT2AMAPTGPR119ALDH1A1
SCHEMBL28927867 0.65 CKS1B (0.51) CNR2MAPTGPR119ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828332-B1 Antagonists and partial agonists of the serotonin receptor, and activity as inhibitors of serotonin reuptake for treatment of depression ELI LILLY AND COMPANY 2004-12-07 US disclosed
US-6664274-B1 4-(4-benzothiophene- or 4-benzofuran-1,2,3,6-tetrahydro-pyridyl)- derivatives; 5-HT1A and 5-HT2A receptor antagonists; tobacco or nicotine withdrawal ELI LILLY AND COMPANY 2003-12-16 US disclosed
EP-0982304-B1 Piperidine derivatives having effects on serotonin related systems LILLY CO ELI (US) 2002-10-02 EP disclosed
US-6436964-B1 HETEROCYCLIC AMINES, USED AS SERETONIN REUPTAKE INHIBITORS AND RECEPTOR ANTAGONISTS, ANTIDEPRESSANTS ELI LILLY AND COMPANY 2002-08-20 US disclosed
EP-1220853-A1 PIPERIDINE DERIVATIVES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2002-07-10 EP disclosed
EP-1146045-A1 Piperidine derivatives having effects on serotonin related systems ELI LILLY AND COMPANY (US) 2001-10-17 EP disclosed
WO-2001023380-A1 PIPERIDINE DERIVATIVES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2001-04-05 WO disclosed
WO-2001023381-A1 PIPERIDINE DERIVATIVES AS REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2001-04-05 WO disclosed
EP-0982304-A1 Piperidine derivatives having effects on serotonin related systems ELI LILLY AND COMPANY (US) 2000-03-01 EP disclosed
WO-2000000198-A1 PIPERIDINE DERIVATIVES HAVING EFFECTS ON SEROTONIN RELATED SYSTEMS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed