SCHEMBL8409485

SCHEMBL8409485

O=C1CCc2cc(CCN3CCC(C4CCCCC4)CC3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.58
DRD2 P14416 14/20 0.58
HTR2A P28223 14/20 0.58
SLC6A4 P31645 4/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A3 Q01959 3/20 0.51
DRD4 P21917 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
DRD3 P35462 1/20 0.50
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL8439946 0.89 HTR1A (0.56) HTR1ADRD2HTR2ASLC6A4SLC6A2
SCHEMBL8439044 0.89 HTR1A (0.56) HTR1ADRD2HTR2ASLC6A4SLC6A2
SCHEMBL8420409 0.87 HTR1A (0.57) HTR1ADRD2HTR2ASLC6A4SLC6A2
SCHEMBL466903 0.80 DRD2 (0.57) HTR1ADRD2HTR2ASLC6A4DRD4
SCHEMBL5474121 0.79 HTR1A (0.69) HTR1ADRD2HTR2ASLC6A4SLC6A2
SCHEMBL8300540 0.78 HTR1A (0.56) HTR1ADRD2HTR2ASLC6A4SLC6A2
SCHEMBL2234606 0.78 MAOA (0.44) HTR1ADRD2HTR2ASLC6A4DRD4
SCHEMBL14560259 0.76 HTR1A (0.63) HTR1ADRD2HTR2ASLC6A4SLC6A2
SCHEMBL7364603 0.76 CA12 (0.58) HTR1ADRD2HTR2ASLC6A4SLC6A2
Hydrochloric Acid SCHEMBL10837761 0.75 DRD2 (0.61) HTR1ADRD2HTR2ASLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848707-B1 4-(CYCLOALKYL)PIPERIDINES AND 4-(CYCLOALKYLALKYL)-PIPERIDINES DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL APPLICATIONS THEREOF SYNTHELABO (FR) 1999-08-04 EP disclosed
CN-1201453-A 4- (cycloalkyl) -piperidine and 4- (cycloalkylalkyl) piperidine derivatives, their preparation and their use in medicine SYNTHELABO CO (FR) 1998-12-09 CN disclosed