SCHEMBL7775551

SCHEMBL7775551

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HTR2A P28223 1/20 0.46
▸ ACHE P22303 2/20 0.46
▸ BACE1 P56817 3/20 0.45
▸ DRD2 P14416 1/20 0.44
▸ TACR1 P25103 2/20 0.43
▸ BCHE P06276 2/20 0.43
▸ MALT1 Q9UDY8 1/20 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
SCHEMBL7782484 0.89 HTR2A (0.45) RECQLSMN1; SMN2HTR2AACHEBACE1
SCHEMBL7779988 0.83 HTR6 (0.49) SMN1; SMN2HTR2AACHEBACE1BCHE
SCHEMBL23274847 0.82 RECQL (0.43) RECQLSMN1; SMN2HTR2AACHEBACE1
SCHEMBL5228338 0.82 RECQL (0.52) RECQLSMN1; SMN2HTR2AACHEDRD2
SCHEMBL13676573 0.79 ACHE (0.57) ACHEBACE1DRD2TACR1BCHE
SCHEMBL13005299 0.79 ACHE (0.57) ACHEBACE1DRD2TACR1BCHE
SCHEMBL13676574 0.79 ACHE (0.57) ACHEBACE1DRD2TACR1BCHE
SCHEMBL8215953 0.79 BACE1 (0.49) RECQLSMN1; SMN2HTR2AACHEBACE1
SCHEMBL2676077 0.76 ACHE (0.54) ACHEBACE1DRD2TACR1BCHE
SCHEMBL7779863 0.76 ACHE (0.54) HTR2AACHEBACE1BCHE

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 8 patents. 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
US-5942629-A HYDROGENATING 3-ACETYL-1-BENZYL-2-PYRROLIDINONE IN PRESENCE OF A COMPLEX FORMED FROM BIDENTATE PHOSPHINE AND RUTHENIUM CATALYST TO PRODUCE INTERMEDIATE, REDUCING THE INTERMEDIATE, MESYLATING OR TOSYLATING THE PRODUCT, FINALLY METHYLAMINATING TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-08-24 — — US claimed
EP-0855390-A1 A process for producing optically active pyrrolidine derivatives Takasago International Corporation (JP) 1998-07-29 — — EP claimed
EP-0855390-B1 A process for producing optically active pyrrolidine derivatives TAKASAGO PERFUMERY CO LTD (JP) 2001-10-04 — — EP disclosed
US-5942629-A HYDROGENATING 3-ACETYL-1-BENZYL-2-PYRROLIDINONE IN PRESENCE OF A COMPLEX FORMED FROM BIDENTATE PHOSPHINE AND RUTHENIUM CATALYST TO PRODUCE INTERMEDIATE, REDUCING THE INTERMEDIATE, MESYLATING OR TOSYLATING THE PRODUCT, FINALLY METHYLAMINATING TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-08-24 — — US disclosed
US-5942629-A HYDROGENATING 3-ACETYL-1-BENZYL-2-PYRROLIDINONE IN PRESENCE OF A COMPLEX FORMED FROM BIDENTATE PHOSPHINE AND RUTHENIUM CATALYST TO PRODUCE INTERMEDIATE, REDUCING THE INTERMEDIATE, MESYLATING OR TOSYLATING THE PRODUCT, FINALLY METHYLAMINATING TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-08-24 — — US disclosed
EP-0855390-A1 A process for producing optically active pyrrolidine derivatives Takasago International Corporation (JP) 1998-07-29 — — EP disclosed
EP-0855390-A1 A process for producing optically active pyrrolidine derivatives Takasago International Corporation (JP) 1998-07-29 — — EP disclosed
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