SCHEMBL9051391

SCHEMBL9051391

CCCC(=O)c1ccc(N2C3CCC2CC(O)(c2ccc(Cl)cc2)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.58
DRD4 P21917 8/20 0.58
DRD3 P35462 4/20 0.58
ADRA1A P35348 2/20 0.58
HTR1A P08908 2/20 0.58
HTR2A P28223 2/20 0.58
HRH1 P35367 2/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
HTR2C P28335 1/20 0.58
ADRA1B P35368 1/20 0.58

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
SCHEMBL9050732 0.80 DRD2 (0.61) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL9052202 0.77 GRIN2B (0.50) DRD2DRD4DRD3HTR1AHTR2A
SCHEMBL9050578 0.73 DRD2 (1.00) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL9051399 0.73 DRD2 (0.80) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL318783 0.72 HSD17B3 (0.67)
SCHEMBL5193747 0.70 DRD2 (0.57) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL9050720 0.69 DRD2 (0.57) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL9052324 0.68 DRD2 (0.61) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL9053113 0.68 DRD2 (0.56) DRD2DRD4DRD3ADRA1AHTR1A
SCHEMBL9052696 0.68 DRD2 (0.46) DRD2DRD4DRD3ADRA1AHTR1A

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-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed