SCHEMBL7544053

SCHEMBL7544053

CCc1cccc2sc(C3CCNC(C)(C)C3)cc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.39
HTR1A P08908 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
S1PR5 Q9H228 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8819843 0.83 SLC9A1 (0.42) SLC9A1DRD2SLC6A4S1PR5MEN1
SCHEMBL5758768 0.78 SLC9A1 (0.38) SLC9A1HTR1ADRD2SLC6A4S1PR5
SCHEMBL5758774 0.78 SLC9A1 (0.38) SLC9A1HTR1ADRD2SLC6A4S1PR5
SCHEMBL5760609 0.78 SLC9A1 (0.38) SLC9A1HTR1ADRD2SLC6A4S1PR5
Hydrochloric Acid SCHEMBL7099353 0.77 SLC9A1 (0.38) SLC9A1HTR1ADRD2SLC6A4S1PR5
SCHEMBL7866418 0.71 HTR6 (0.40) SLC9A1HTR1AMEN1KMT2A
SCHEMBL5758016 0.68 L3MBTL1 (0.44) HTR1AL3MBTL1SLC6A4MEN1KMT2A
SCHEMBL5758789 0.66 HTR2C (0.49) SLC9A1HTR1ASLC6A4MEN1KMT2A
SCHEMBL5760366 0.64 HTR1A (0.41) HTR1AL3MBTL1SLC6A4
SCHEMBL5758594 0.64 HTR1A (0.41) HTR1AL3MBTL1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242377-A1 A PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF 2,2-DIALKYL-4-SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046142-A1 A PROCESS FOR THE REGIOSELECTIVE SYNTHESIS OF 2,2-DIALKYL-4-SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed