SCHEMBL17848701

SCHEMBL17848701

CCc1cc(F)ccc1OCCN1CCC(C)(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.74
HTR2A P28223 3/20 0.43
HTR2B P41595 2/20 0.43
DRD3 P35462 2/20 0.43
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
DRD5 P21918 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2C P28335 2/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL17861613 0.92 DRD2 (0.75) DRD2HTR2AHTR2BDRD3HTR1A
SCHEMBL17848324 0.89 DRD2 (0.76) DRD2HTR2AHTR2BDRD3HTR1A
SCHEMBL17848400 0.89 DRD2 (0.76) DRD2HTR2AHTR2BDRD3HTR1A
SCHEMBL17848696 0.85 DRD2 (0.70) DRD2HTR2AHTR2BDRD3HTR1A
SCHEMBL17848402 0.85 DRD2 (0.70) DRD2HTR2AHTR2BDRD3HTR1A
SCHEMBL17848610 0.85 DRD2 (1.00) DRD2HTR2AHTR2BDRD3HTR1A
SCHEMBL17848421 0.84 DRD2 (0.72) DRD2HTR2AHTR2BDRD3HTR1A
SCHEMBL17848497 0.84 DRD2 (0.72) DRD2HTR2AHTR2BDRD3HTR1A
SCHEMBL17848480 0.84 DRD2 (1.00) DRD2HTR2AHTR2BDRD3HTR1A
SCHEMBL17848380 0.84 DRD2 (0.80) DRD2HTR2AHTR2BDRD3HTR1A

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-3233077-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 EP claimed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO claimed