SCHEMBL7604922

SCHEMBL7604922

Cc1ccc(C(C)(O)C(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.61
DRD4 P21917 3/20 0.61
DRD3 P35462 3/20 0.61
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TP53 P04637 3/20 0.59
POLB P06746 2/20 0.59
MAPK1 P28482 1/20 0.57
GSK3B P49841 2/20 0.53
ALDH1A1 P00352 2/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL7601112 0.94 MAPT (0.68) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL7600856 0.94 DRD2 (0.59) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL7601672 0.94 DRD2 (0.59) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL7596945 0.94 DRD2 (0.59) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL7601978 0.92 POLB (0.69) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL7597598 0.90 MAPT (0.58) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL7599223 0.90 DRD2 (0.56) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL7599786 0.89 DRD2 (0.66) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL7601141 0.88 MAPT (0.61) DRD2DRD4DRD3MAPTSMN1; SMN2
SCHEMBL7600056 0.87 DRD3 (0.54) DRD2DRD4DRD3MAPTSMN1; SMN2

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