SCHEMBL7601978

SCHEMBL7601978

COc1ccc(C(C)(O)C(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
MAPK1 P28482 1/20 0.69
DRD4 P21917 6/20 0.56
DRD2 P14416 6/20 0.56
DRD3 P35462 3/20 0.56
MAPT P10636 6/20 0.54
TP53 P04637 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GSK3B P49841 2/20 0.51
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
MCL1 Q07820 1/20 0.51
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL7599234 0.93 POLB (0.72) POLBMAPK1DRD4DRD2DRD3
SCHEMBL7604922 0.92 DRD2 (0.61) POLBMAPK1DRD4DRD2DRD3
SCHEMBL7601112 0.89 MAPT (0.68) POLBMAPK1DRD4DRD2DRD3
SCHEMBL7596945 0.89 DRD2 (0.59) POLBMAPK1DRD4DRD2DRD3
SCHEMBL7601672 0.89 DRD2 (0.59) POLBMAPK1DRD4DRD2DRD3
SCHEMBL7600856 0.89 DRD2 (0.59) POLBMAPK1DRD4DRD2DRD3
SCHEMBL7599223 0.86 DRD2 (0.56) POLBMAPK1DRD4DRD2DRD3
SCHEMBL7597598 0.85 MAPT (0.58) POLBMAPK1DRD4DRD2DRD3
SCHEMBL7599786 0.84 DRD2 (0.66) POLBMAPK1DRD4DRD2DRD3
SCHEMBL7601141 0.83 MAPT (0.61) POLBMAPK1DRD4DRD2DRD3

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