SCHEMBL7779988

SCHEMBL7779988

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.49
▸ BCHE P06276 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ BACE1 P56817 4/20 0.46
▸ ACHE P22303 3/20 0.46
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ CD4 P01730 2/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ MAPT P10636 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
SCHEMBL7775551 0.83 RECQL (0.47) BCHESMN1; SMN2BACE1ACHEHTR2A
SCHEMBL7782484 0.82 HTR2A (0.45) BCHESMN1; SMN2BACE1ACHEHTR2A
SCHEMBL952495 0.79 HTR6 (0.53) HTR6BCHESMN1; SMN2BACE1ACHE
SCHEMBL3562444 0.79 HTR6 (0.53) HTR6BCHESMN1; SMN2BACE1ACHE
SCHEMBL952496 0.79 HTR6 (0.53) HTR6BCHESMN1; SMN2BACE1ACHE
SCHEMBL8540877 0.78 HTR6 (0.54) HTR6BCHESMN1; SMN2BACE1ACHE
SCHEMBL8540875 0.78 HTR6 (0.54) HTR6BCHESMN1; SMN2BACE1ACHE
SCHEMBL5743822 0.76 HTR6 (0.50) HTR6BCHESMN1; SMN2BACE1ACHE
SCHEMBL7782471 0.76 HTR6 (0.53) HTR6BCHESMN1; SMN2BACE1ACHE
SCHEMBL5743236 0.76 HTR6 (0.50) HTR6BCHESMN1; SMN2BACE1ACHE

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
Send feedback