SCHEMBL28257239

SCHEMBL28257239

OCc1cccnc1C1CNCCO1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
HTR2A P28223 1/20 0.39
HTR1A P08908 1/20 0.37
SSTR4 P31391 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
SCHEMBL29034235 0.84 KDM4E (0.43) DRD2DRD3
SCHEMBL29034249 0.83 DRD2 (0.37) DRD2DRD3
SCHEMBL28666083 0.82 DRD2 (0.50) DRD2DRD3
SCHEMBL8139122 0.80 SLC6A3 (0.39)
SCHEMBL27816652 0.78 DRD2 (0.42) DRD2DRD3HTR1A
SCHEMBL28105993 0.78 DRD2 (0.42) DRD2DRD3
SCHEMBL29226953 0.78 DRD2 (0.43) DRD2DRD3HTR1A
SCHEMBL28860435 0.77 DRD2 (0.41) DRD2DRD3HTR2AHTR1A
SCHEMBL29034259 0.77 REN (0.38)
SCHEMBL28010292 0.77 DRD2 (0.42) DRD2DRD3

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-104903320-B Nitrogen-containing heterocycle compound or its salt 富士胶片株式会社 2018-11-13 CN disclosed