SCHEMBL7782484

SCHEMBL7782484

C[C@@H](OS(=O)(=O)Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.45
▸ ACHE P22303 3/20 0.44
▸ BACE1 P56817 3/20 0.44
▸ MALT1 Q9UDY8 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ RIN1 Q13671 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BCHE P06276 2/20 0.43
▸ TACR1 P25103 2/20 0.42

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
SCHEMBL7775551 0.89 RECQL (0.47) HTR2AACHEBACE1MALT1RECQL
SCHEMBL7779988 0.82 HTR6 (0.49) HTR2AACHEBACE1SMN1; SMN2BCHE
SCHEMBL7068759 0.80 HPGD (0.48) SMN1; SMN2
SCHEMBL13005299 0.78 ACHE (0.57) ACHEBACE1BCHETACR1
SCHEMBL13676573 0.78 ACHE (0.57) ACHEBACE1BCHETACR1
SCHEMBL13676574 0.78 ACHE (0.57) ACHEBACE1BCHETACR1
SCHEMBL7775686 0.76 ACHE (0.54) HTR2AACHEBACE1ABL1RIN1
SCHEMBL537414 0.76 ACHE (0.54) ACHEBACE1BCHETACR1
SCHEMBL2676077 0.76 ACHE (0.54) ACHEBACE1BCHETACR1
SCHEMBL2676079 0.76 ACHE (0.54) ACHEBACE1BCHETACR1

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
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