SCHEMBL4176367

SCHEMBL4176367

O=[C]NC1CCN(CCC2CCOC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.34
HTR2A P28223 18/20 0.34
DRD3 P35462 18/20 0.34
HTR4 Q13639 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
SCHEMBL3951164 0.92 ALDH1A1 (0.33) HTR4
SCHEMBL3947898 0.91 HTR2A (0.38) DRD2HTR2ADRD3
SCHEMBL3956360 0.80 DRD2 (0.31) DRD2HTR2ADRD3
SCHEMBL4176371 0.79 DRD2 (0.45) DRD2HTR2ADRD3
SCHEMBL3950698 0.78 ALDH1A1 (0.34) DRD2HTR2ADRD3
SCHEMBL3951429 0.76 DRD2 (0.31) DRD2HTR2ADRD3
SCHEMBL4044981 0.75 CHRM2 (0.36) DRD2HTR2ADRD3
SCHEMBL3950039 0.75 ALDH1A1 (0.32)
SCHEMBL3951433 0.74 CARM1 (0.43)
SCHEMBL3948245 0.73 GNAI3 (0.33) DRD2HTR2ADRD3

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
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed