SCHEMBL8300540

SCHEMBL8300540

O=C1Cc2cc(CCN3CCC(CCC4CCCCC4)CC3)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.56
DRD2 P14416 8/20 0.56
HTR2A P28223 8/20 0.56
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
GRIN1 Q05586 2/20 0.48
EPHX2 P34913 1/20 0.47
GAA P10253 1/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43

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 0.90 HTR1A (0.56) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL14560259 0.85 HTR1A (0.63) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL14560260 0.84 HTR1A (0.64) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8439044 0.83 HTR1A (0.56) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8420409 0.82 HTR1A (0.57) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL6403949 0.78 HTR1A (0.60) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8409485 0.78 HTR1A (0.58) HTR1ADRD2HTR2AADRA1DADRA1A
SCHEMBL8302305 0.78 GRIN2B (0.52) HTR1ADRD2HTR2AEPHX2ACHE
SCHEMBL8301786 0.77 HTR1A (0.53) HTR1ADRD2HTR2AGRIN1EPHX2
SCHEMBL466903 0.77 DRD2 (0.57) HTR1ADRD2HTR2ASLC6A4BCHE

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 1 patent. 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