SCHEMBL9306865

SCHEMBL9306865

CCCN(CCN)C1CSc2cccc(OC)c2C1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
HTR1A P08908 3/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
HTR5A P47898 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9787104 0.94 DRD2 (0.56) DRD2DRD4DRD3HTR1AHTR1D
Hydrochloric Acid SCHEMBL9787054 0.93 DRD2 (0.55) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL9304332 0.92 DRD2 (0.48) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL9303497 0.84 DRD2 (0.46) DRD2DRD4DRD3HTR1AMEN1
SCHEMBL9306055 0.84 DRD2 (0.47) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL3386360 0.83 HTR1A (0.49) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL9824766 0.82 HTR1A (0.54) DRD2DRD4DRD3HTR1AHTR1D
Hydrochloric Acid SCHEMBL9787141 0.82 HTR1A (0.48) DRD2DRD4DRD3HTR1AHTR1D
Hydrochloric Acid SCHEMBL9787193 0.81 HTR1A (0.53) DRD2DRD4DRD3HTR1AHTR1D
SCHEMBL8874827 0.80 FYN (0.45) DRD2DRD3HTR1AHTR1DHTR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5346916-A FOR TREATING ANIMALS SUFFERING FROM DISORDERS OF THE SEROTONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1994-09-13 US disclosed
US-5314907-A 3-aminochroan compounds ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed
US-5273994-A Also hydroxy- or alkyl ether-substituted ADIR ET COMPAGNIE (FR) 1993-12-28 US disclosed
US-5252578-A Treatment of disorders of teh serotoninergic system ADIR ET COMPAGNIE (FR) 1993-10-12 US disclosed