SCHEMBL7779863

SCHEMBL7779863

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
ALDH1A1 P00352 1/20 0.53
BACE1 P56817 3/20 0.51
BCHE P06276 1/20 0.50
SLC18A3 Q16572 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 1/20 0.49
CCR3 P51677 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
TSHR P16473 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL5980555 1.00 ACHE (0.54) ACHEALDH1A1BACE1BCHESLC18A3
SCHEMBL7775686 1.00 ACHE (0.54) ACHEALDH1A1BACE1BCHESLC18A3
SCHEMBL7775764 1.00 ACHE (0.54) ACHEALDH1A1BACE1BCHESLC18A3
SCHEMBL9739998 0.91 ALDH1A1 (0.61) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL19770184 0.90 ACHE (0.62) ACHEBACE1BCHECCR3KDM4E
SCHEMBL7651915 0.90 ACHE (0.62) ACHEBACE1BCHECCR3KDM4E
SCHEMBL16903635 0.90 ALDH1A1 (0.56) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL13676574 0.87 ACHE (0.57) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL13005299 0.87 ACHE (0.57) ACHEALDH1A1BACE1BCHECYP1A2
SCHEMBL19680503 0.87 ALDH1A1 (0.55) ACHEALDH1A1BACE1BCHECYP1A2

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