SCHEMBL30855313

SCHEMBL30855313

O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1)c1ccnc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 1.00
DRD3 P35462 16/20 1.00
HTR2A P28223 7/20 1.00
DRD4 P21917 5/20 1.00
HTR1A P08908 4/20 1.00
HTR2C P28335 4/20 1.00
HTR2B P41595 4/20 1.00
DRD1 P21728 2/20 0.84
ABCB11 O95342 1/20 0.62
CHRM2 P08172 1/20 0.62
ADRA2A P08913 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD5 P21918 1/20 0.62
HTR7 P34969 1/20 0.62
ADRA1A P35348 1/20 0.62
HRH1 P35367 1/20 0.62
KCNH2 Q12809 1/20 0.62

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
SCHEMBL30855276 0.91 DRD2 (1.00) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL29904302 0.87 DRD2 (0.78) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL29904305 0.87 DRD2 (0.78) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL23331609 0.87 DRD2 (0.78) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL25106927 0.87 DRD2 (0.78) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL23331418 0.87 DRD2 (0.78) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL3091220 0.85 DRD3 (0.73) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL12478132 0.84 DRD2 (1.00) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL229035 0.84 DRD3 (0.72) DRD2DRD3HTR2ADRD4HTR1A
SCHEMBL229638 0.84 DRD3 (0.72) DRD2DRD3HTR2ADRD4HTR1A

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