SCHEMBL3962210

SCHEMBL3962210

COc1cc(S)ccc1C1CCN(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PDE4B Q07343 9/20 0.43
QDPR P09417 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL1014743 0.84 PDE4B (0.57) MEN1KMT2APDE4BMAPTPDE4A
SCHEMBL13210893 0.77 DRD2 (0.36) MEN1KMT2AQDPRMAPTDRD2
SCHEMBL31386247 0.77 PROKR1 (0.48) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28094425 0.76 MEN1 (0.52) MEN1KMT2APDE4BQDPRMAPT
SCHEMBL2637185 0.72 MEN1 (0.77) MEN1KMT2AMAPTDRD2DRD4
SCHEMBL23326213 0.72 PTGDR2 (0.57) MEN1KMT2A
SCHEMBL23326185 0.72 HTR2A (0.55)
SCHEMBL23326258 0.70 ALDH1A1 (0.45) NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL26106200 0.70 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL1015417 0.70 PDE4B (0.57) MEN1KMT2APDE4BMAPTPDE4A

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-2081890-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-29 EP disclosed
WO-2008055847-A1 ARYLSULFONYL PYRROLIDINES AS 5-HT6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed