SCHEMBL7601770

SCHEMBL7601770

COc1ccccc1N1CCN(CCCNC(=O)C2(O)c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.66
DRD2 P14416 10/20 0.64
DRD3 P35462 8/20 0.64
DRD4 P21917 7/20 0.64
HTR1A P08908 2/20 0.64
ADRA2A P08913 2/20 0.64
DRD1 P21728 2/20 0.64
DRD5 P21918 2/20 0.64
HTR2A P28223 2/20 0.64
ADRA1A P35348 2/20 0.64
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61

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
SCHEMBL8957615 0.82 HTR1D (0.94) HTR1DHTR1A
SCHEMBL3162960 0.82 DRD2 (0.76) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL8925143 0.79 HTR1D (1.00) HTR1DDRD2DRD3DRD4HTR1A
SCHEMBL14761584 0.79 DRD2 (0.94) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL19580052 0.79 DRD2 (0.81) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL7869518 0.78 DRD2 (1.00) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL27966706 0.78 DRD2 (1.00) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL6356947 0.78 HTR1D (0.76) HTR1DDRD2HTR1A
SCHEMBL8445652 0.77 DRD2 (0.66) DRD2DRD4HTR1AADRA1A
Hydrochloric Acid SCHEMBL9083044 0.77 HTR1D (0.75) HTR1DDRD2

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