SCHEMBL7706510

SCHEMBL7706510

COC1CN(Cc2ccccc2)CCC1COCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
ACHE P22303 2/20 0.46
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
BCHE P06276 1/20 0.43
BACE1 P56817 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 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
SCHEMBL2922714 0.88 ACHE (0.49) DRD2DRD4ACHEMEN1KMT2A
SCHEMBL2922720 0.88 ACHE (0.49) DRD2DRD4ACHEMEN1KMT2A
SCHEMBL2922717 0.88 ACHE (0.49) DRD2DRD4ACHEMEN1KMT2A
SCHEMBL9201081 0.81 LMNA (0.47) ACHEMEN1KMT2ASIGMAR1BCHE
SCHEMBL9201076 0.81 LMNA (0.47) ACHEMEN1KMT2ASIGMAR1BCHE
SCHEMBL9201082 0.81 LMNA (0.47) ACHEMEN1KMT2ASIGMAR1BCHE
SCHEMBL9217180 0.80 MCHR1 (0.47) DRD2DRD4ACHESIGMAR1BCHE
SCHEMBL9214444 0.80 MCHR1 (0.47) DRD2DRD4ACHESIGMAR1BCHE
SCHEMBL9217174 0.80 MCHR1 (0.47) DRD2DRD4ACHESIGMAR1BCHE
SCHEMBL24815522 0.79 TSHR (0.45) ACHECTSLCTSBCTSKBCHE

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