SCHEMBL30855282

SCHEMBL30855282

CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncccn3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.64
DRD3 P35462 9/20 0.64
HTR2A P28223 5/20 0.64
HTR1A P08908 4/20 0.64
DRD4 P21917 3/20 0.64
ADRA2A P08913 2/20 0.64
HTR2C P28335 2/20 0.64
HTR7 P34969 2/20 0.64
ADRA1A P35348 2/20 0.64
HRH1 P35367 2/20 0.64
HTR2B P41595 2/20 0.64
ABCB11 O95342 1/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
DRD1 P21728 1/20 0.64
DRD5 P21918 1/20 0.64
KCNH2 Q12809 1/20 0.64
CHRM4 P08173 1/20 0.63
ADRB1 P08588 1/20 0.63
CHRM5 P08912 1/20 0.63

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
SCHEMBL30855251 0.83 DRD2 (0.66) DRD2DRD3HTR2AHTR1A
SCHEMBL29282416 0.81 DRD2 (0.73) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL29282413 0.81 DRD2 (0.73) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL30855312 0.79 DRD2 (0.69) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL29282279 0.79 DRD2 (0.67) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL29282274 0.79 DRD2 (0.67) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL22303309 0.78 DRD2 (0.81) DRD2DRD3HTR2AHTR1A
Cariprazine SCHEMBL184342 0.78 DRD2 (1.00) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL30855246 0.78 DRD2 (0.82) DRD2DRD3HTR2AHTR1ADRD4
Cariprazine SCHEMBL29395059 0.78 DRD2 (1.00) DRD2DRD3HTR2AHTR1ADRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594294-A1 DOPAMINE D3/D2 RECEPTOR PARTIAL AGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2025-08-06 EP disclosed
WO-2024072930-A1 DOPAMINE D3/D2 RECEPTOR PARTIAL AGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-04-04 WO disclosed