SCHEMBL7706516

SCHEMBL7706516

CCCCN1CC[C@@H](CO)[C@@H](OC)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
BCHE P06276 4/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
GBA2 Q9HCG7 5/20 0.39
GLB1 P16278 1/20 0.39
UGCG Q16739 1/20 0.36

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
SCHEMBL7706522 1.00 GBA1 (0.46) GBA1BCHEHTR1ADRD2DRD1
SCHEMBL7703115 0.82 GBA1 (0.63) GBA1GBA2GLB1UGCG
SCHEMBL7703107 0.82 GBA1 (0.63) GBA1GBA2GLB1UGCG
SCHEMBL13748363 0.76 GBA1 (0.38) GBA1
SCHEMBL8518882 0.73 GNAO1 (0.46) GBA1BCHEHTR1ADRD2DRD1
SCHEMBL14749169 0.73 GNAI3 (0.42) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL14749186 0.73 GNAI3 (0.42) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL12912029 0.73 GNAI3 (0.42) HTR1ADRD2DRD1DRD4DRD5
SCHEMBL12367023 0.71 OPRK1 (0.31) GBA1
SCHEMBL4473375 0.71 GLB1 (0.53) GBA1BCHEHTR1ADRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880500-B1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-07-31 EP disclosed
US-6096761-A REACTING A N-SUBSTITUTED 4-METHANOL-3-HYDROXY OR ALKOXY-PIPERIDINE INTERMEDIATE WITH A CARBOXYLIC ACID DERIVATIVES; ADMINISTERING TO AN ANIMAL SUFFERING WITH A CONDITION RELATED TO HAMPERED OR IMPAIRED GASTRIC EMPTYING JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-01 US disclosed
EP-0880500-A1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-02 EP disclosed
WO-1997030031-A1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-21 WO disclosed