SCHEMBL7782471

SCHEMBL7782471

Cc1ccc(S(=O)(=O)OCC[C@H]2CCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
BCHE P06276 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
CD4 P01730 2/20 0.46
SORT1 Q99523 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL8540877 0.88 HTR6 (0.54) HTR6SMN1; SMN2BCHELMNAALDH1A1
SCHEMBL8540875 0.88 HTR6 (0.54) HTR6SMN1; SMN2BCHELMNAALDH1A1
SCHEMBL14166152 0.83 SMN1; SMN2 (0.56) HTR6SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL1943416 0.82 ACHE (0.53) HTR6SMN1; SMN2BCHEACHECD4
SCHEMBL9212450 0.81 BCHE (0.50) HTR6SMN1; SMN2BCHELMNAALDH1A1
SCHEMBL952496 0.80 HTR6 (0.53) HTR6SMN1; SMN2BCHELMNAALDH1A1
SCHEMBL952495 0.80 HTR6 (0.53) HTR6SMN1; SMN2BCHELMNAALDH1A1
SCHEMBL3562444 0.80 HTR6 (0.53) HTR6SMN1; SMN2BCHELMNAALDH1A1
SCHEMBL19475540 0.80 SMN1; SMN2 (0.55) HTR6SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL9217317 0.79 HTR2A (0.55) HTR6BCHEALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855390-B1 A process for producing optically active pyrrolidine derivatives TAKASAGO PERFUMERY CO LTD (JP) 2001-10-04 EP claimed