SCHEMBL27450752

SCHEMBL27450752

[O-][S+]1CNc2ccc(CCCC3CNCCO3)cc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.32
SLC6A4 P31645 9/20 0.32
SLC6A3 Q01959 9/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
ADRA2C P18825 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL27451214 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL11358847 0.73 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL11652607 0.66 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL78044 0.64 DRD4 (0.51) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL8924483 0.64 DRD4 (0.51) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL18689815 0.64 HRH1 (0.43) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL21254392 0.64 DRD4 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL27658505 0.64 DRD2 (0.51) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL6978725 0.64 GFER (0.44) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL7497207 0.64 DRD4 (0.51) SLC6A2SLC6A4SLC6A3ADRB2HTR1A

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
CN-1111626-A Preparation and the pharmaceutical compositions which contain them ADIR (FR) 1995-11-15 CN claimed