SCHEMBL31348158

SCHEMBL31348158

COc1c(F)cccc1N1CCN(C[C@H](O)CCNC(=O)c2ccc3c(c2)CC(=O)N3C)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 0.57
DRD2 P14416 15/20 0.57
DRD4 P21917 7/20 0.57
HTR1A P08908 5/20 0.51
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
DRD1 P21728 2/20 0.47

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
SCHEMBL31348222 0.92 DRD3 (0.58) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL31348151 0.91 DRD3 (0.53) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL31348159 0.91 DRD3 (0.53) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL31348183 0.90 DRD3 (0.64) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL31348122 0.90 DRD3 (0.47) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL31348162 0.87 DRD3 (0.74) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL31348198 0.84 DRD3 (0.46) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL31348173 0.80 DRD3 (0.70) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL31348269 0.79 DRD3 (0.58) DRD3DRD2DRD4HTR1AHTR2A
SCHEMBL31348181 0.78 DRD3 (0.56) DRD3DRD2DRD4HTR1AHTR2A

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-2025006982-A1 POTENT AND SELECTIVE DOPAMINE D3 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-01-02 WO disclosed