SCHEMBL31558065

SCHEMBL31558065

CCCN(CCC)[C@@H]1CCc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 1.00
DRD3 P35462 11/20 0.77
DRD2 P14416 11/20 0.66
DRD4 P21917 5/20 0.66
MEN1 O00255 2/20 0.66
ADRB2 P07550 2/20 0.66
CYP2D6 P10635 2/20 0.66
KMT2A Q03164 2/20 0.66
CASP1 P29466 1/20 0.66
HTR7 P34969 2/20 0.64
DRD1 P21728 1/20 0.64
DRD5 P21918 1/20 0.64
CYP1A2 P05177 1/20 0.64
TSHR P16473 1/20 0.64
HTR1D P28221 1/20 0.64
LMNA P02545 1/20 0.64

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
SCHEMBL9359278 1.00 HTR1A (1.00) HTR1ADRD3DRD2DRD4MEN1
Hydrochloric Acid SCHEMBL29064041 0.98 HTR1A (0.97) HTR1ADRD3DRD2DRD4MEN1
SCHEMBL8044410 0.89 HTR1A (0.78) HTR1ADRD3DRD2
SCHEMBL8688812 0.87 DRD3 (1.00) HTR1ADRD3DRD2CYP2D6
SCHEMBL2599112 0.87 HTR1A (0.76) HTR1ADRD3DRD2DRD4MEN1
SCHEMBL2599107 0.87 HTR1A (0.76) HTR1ADRD3DRD2DRD4MEN1
SCHEMBL13741320 0.86 HTR1A (0.75) HTR1ADRD3DRD2DRD4
SCHEMBL8672038 0.85 HTR1A (0.73) HTR1ADRD3DRD2DRD4MEN1
SCHEMBL17446163 0.85 HTR1A (0.73) HTR1ADRD3DRD2DRD4MEN1
SCHEMBL15323709 0.84 DRD2 (0.76) HTR1ADRD3DRD2DRD4DRD1

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
US-12285426-B2 Combination serotonin specific reuptake inhibitor and serotonin 1A receptor partial agonist for reducing L-DOPA-induced dyskinesia THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2025-04-29 US disclosed