SCHEMBL31348167

SCHEMBL31348167

CC1C(c2cccc(C(F)(F)F)c2)CCN1CC(O)CCN

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
DRD2 P14416 1/20 0.41
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
DRD3 P35462 1/20 0.39
GRIN2B Q13224 1/20 0.39
CETP P11597 6/20 0.38
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
SLC6A9 P48067 2/20 0.37
PNMT P11086 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
SCHEMBL31348125 1.00 HTR2B (0.44) HTR2BHTR2AHTR2CDRD2CHRM2
SCHEMBL31348260 0.83 HSD17B2 (0.41) DRD2GRIN2BCETPSLC6A9
SCHEMBL31348130 0.80 HTR2C (0.47) HTR2BHTR2AHTR2CDRD2CHRM2
SCHEMBL31348140 0.78 DRD2 (0.55) HTR2BHTR2AHTR2CDRD2CHRM2
SCHEMBL31348230 0.74 SMYD3 (0.41) HTR2AHTR2CDRD2HTR1ADRD3
SCHEMBL8604467 0.67 DRD2 (0.49) HTR2BHTR2AHTR2CDRD2CHRM2
SCHEMBL31348258 0.67 PDE2A (0.40) DRD2GRIN2B
SCHEMBL31348112 0.67 PDE2A (0.40) DRD2GRIN2B
SCHEMBL25004703 0.65 HTR2C (0.59) HTR2BHTR2AHTR2CDRD2CHRM2
SCHEMBL16350172 0.65 HTR2C (0.59) HTR2BHTR2AHTR2CDRD2CHRM2

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