SCHEMBL7601155

SCHEMBL7601155

COc1ccccc1N1CCN(CCCNC(=O)C(c2ccccc2)C2CCCCC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
TSHR P16473 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
DRD2 P14416 5/20 0.66
DRD3 P35462 4/20 0.66
ADRA1A P35348 2/20 0.66
HTR1A P08908 1/20 0.61
DRD4 P21917 1/20 0.60
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59

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
SCHEMBL7598216 0.85 DRD2 (0.67) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL7596185 0.84 DRD2 (0.66) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL194768 0.83 TP53 (1.00) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4876834 0.82 TP53 (0.98) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3162960 0.81 DRD2 (0.76) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL1388371 0.80 DRD3 (0.60) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL9652871 0.79 DRD2 (0.98) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL14761584 0.78 DRD2 (0.94) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL19580052 0.78 DRD2 (0.81) DRD2DRD3ADRA1AHTR1ADRD4
Oxalic Acid SCHEMBL5378868 0.77 HTR1A (0.61) TDP1DRD2DRD3ADRA1AHTR1A

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
EP-0891344-B1 ALPHA-1 ADRENERGIC RECEPTOR ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2002-12-18 EP disclosed
US-6300499-B1 α1-adrenergic receptor antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-09 US disclosed
EP-0891344-A1 ALPHA 1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-01-20 EP disclosed
WO-1997037983-A1 α1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-10-16 WO disclosed