SCHEMBL7818353

SCHEMBL7818353

COc1cc2c(cc1N1CCN(CCC3(Cc4ccccc4)CCCCCC3)CC1)OCC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 3/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.38
HTR7 P34969 1/20 0.38
DRD2 P14416 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THPO P40225 1/20 0.37
DRD4 P21917 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL7811843 0.97 ADRA1B (0.41) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL8639466 0.74 SIGMAR1 (0.53) DRD2DRD4SIGMAR1
SCHEMBL9041264 0.73 SIGMAR1 (0.50) DRD2DRD4SIGMAR1
SCHEMBL7811838 0.73 HTR2C (0.48)
SCHEMBL7805133 0.73 DRD2 (0.55) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL7805210 0.73 ADRA1D (0.45) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL7828721 0.72 HTR6 (0.48) ADRA1DADRA1AADRA1BHTR1ASLC6A4
SCHEMBL7805201 0.71 HTR2C (0.43) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7812155 0.71 DRD2 (0.49) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL9041270 0.70 ADRA1D (0.41) ADRA1DADRA1AADRA1BHTR1ASLC6A4

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-0745598-B1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-22 EP disclosed
EP-0745598-A1 Piperazine, piperidine and 1,2,5,6-tetrahydropyridine derivatives, proces for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed