SCHEMBL6856969

SCHEMBL6856969

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
ATM Q13315 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 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
SCHEMBL74898 0.80 PDK4 (0.42) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7476247 0.80 PDE4D (0.35) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7495078 0.78 PDK4 (0.39) CNR2MEN1KMT2APDE4APDE4B
SCHEMBL7468708 0.78 PDE4D (0.33) CNR2MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6856971 0.77 CNR2 (0.33) CNR2MEN1ALDH1A1KMT2ASPHK1
SCHEMBL7494927 0.74 USP2 (0.38) CNR2MEN1KMT2APDE4APDE4B
SCHEMBL2649144 0.68 GPR119 (0.37) CNR2SPHK1PDE4APDE4BPDE4C
SCHEMBL7668804 0.67 GABRP (0.31)
SCHEMBL29967028 0.66 SMN1; SMN2 (0.45) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL19434355 0.65 MEN1 (0.31) MEN1KMT2A

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