SCHEMBL9052124

SCHEMBL9052124

CC(=O)C1(c2ccccc2)CCN(CCCC(=O)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.70
DRD3 P35462 4/20 0.63
TACR2 P21452 1/20 0.52
TACR1 P25103 1/20 0.52
TACR3 P29371 1/20 0.52
ADRA1A P35348 2/20 0.51
HTR1A P08908 1/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1B P35368 1/20 0.51

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
SCHEMBL9052499 0.92 DRD2 (0.73) DRD2DRD3HTR2A
SCHEMBL9052179 0.88 DRD2 (0.67) DRD2DRD3
SCHEMBL9051743 0.86 DRD2 (0.66) DRD2DRD3
SCHEMBL11742946 0.84 DRD2 (0.78) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL11065503 0.83 OPRM1 (0.53) TACR2TACR1TACR3ADRA1AHTR7
SCHEMBL6643987 0.83 OPRM1 (0.53) TACR2TACR1TACR3ADRA1AHTR7
Hydrochloric Acid SCHEMBL11746185 0.83 DRD2 (0.76) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL8986029 0.83 DRD2 (1.00) DRD2DRD3TACR1ADRA1AHTR1A
SCHEMBL9052123 0.82 DRD2 (0.74) DRD2DRD3ADRA1AHTR1AHTR2A
SCHEMBL10838283 0.81 DRD3 (0.62) DRD2DRD3TACR2TACR1TACR3

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