SCHEMBL31348129

SCHEMBL31348129

CN1C(=O)Cc2cc(C(=O)NCC[C@@H](O)CN3CCC(c4ccc(C(F)(F)F)cc4F)C3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.42
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
DRD4 P21917 3/20 0.39
HTR2A P28223 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
CCR2 P41597 6/20 0.38
NAMPT P43490 1/20 0.38
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PRMT5 O14744 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL31348109 0.95 SMYD3 (0.42) SMYD3DRD2DRD3DRD4HTR2A
SCHEMBL31348234 0.89 PRMT5 (0.43) SMYD3DRD2DRD3DRD4HTR2A
SCHEMBL31348255 0.79 DRD2 (0.39) SMYD3DRD2DRD3DRD4HTR2A
SCHEMBL31348230 0.79 SMYD3 (0.41) SMYD3DRD2DRD3DRD4HTR2A
SCHEMBL31348181 0.79 DRD3 (0.56) SMYD3DRD2DRD3DRD4HTR2A
SCHEMBL31348122 0.76 DRD3 (0.47) SMYD3DRD2DRD3DRD4HTR2A
SCHEMBL31348158 0.75 DRD3 (0.57) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL31348183 0.74 DRD3 (0.64) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL31348112 0.73 PDE2A (0.40) DRD2CCR2
SCHEMBL31348258 0.73 PDE2A (0.40) DRD2CCR2

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