SCHEMBL5117040

SCHEMBL5117040

CCC(C)(O)c1ccc(-c2ccnc(NCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.77
DRD3 P35462 13/20 0.77
ADRA1A P35348 10/20 0.77
HRH4 Q9H3N8 1/20 0.56
SIGMAR1 Q99720 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2A P28223 2/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL4925392 0.93 DRD2 (0.80) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4930246 0.88 DRD2 (0.82) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL14491418 0.88 DRD2 (0.84) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4924188 0.87 DRD2 (0.86) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4934368 0.87 DRD2 (1.00) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4928946 0.87 DRD2 (0.89) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4932903 0.86 DRD2 (0.82) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4932884 0.86 DRD2 (0.84) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL5181059 0.86 DRD2 (0.98) DRD2DRD3ADRA1AHRH4SIGMAR1
Hydrochloric Acid SCHEMBL4932537 0.86 DRD2 (0.98) DRD2DRD3ADRA1AHRH4SIGMAR1

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
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed