SCHEMBL7600783

SCHEMBL7600783

COC(C(=O)NCCCN1CCN(c2cc(C)ccc2C)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
MAPK1 P28482 1/20 0.58
DRD2 P14416 5/20 0.57
DRD4 P21917 4/20 0.57
DRD3 P35462 3/20 0.57
ALDH1A1 P00352 1/20 0.56
MAPT P10636 8/20 0.55
TP53 P04637 6/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
LMNA P02545 3/20 0.50
GSK3B P49841 2/20 0.50
OPRK1 P41145 1/20 0.49

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
SCHEMBL7601935 0.90 DRD2 (0.60) POLBMAPK1DRD2DRD4DRD3
SCHEMBL7602599 0.89 KMT2A (0.55) POLBMAPK1DRD2DRD4DRD3
SCHEMBL7601974 0.88 DRD2 (0.61) POLBMAPK1DRD2DRD4DRD3
SCHEMBL7597680 0.87 DRD2 (0.60) POLBMAPK1DRD2DRD4DRD3
SCHEMBL7600856 0.86 DRD2 (0.59) POLBMAPK1DRD2DRD4DRD3
SCHEMBL7601672 0.86 DRD2 (0.59) POLBMAPK1DRD2DRD4DRD3
SCHEMBL7596945 0.86 DRD2 (0.59) POLBMAPK1DRD2DRD4DRD3
SCHEMBL7600808 0.85 DRD2 (0.58) POLBMAPK1DRD2DRD4DRD3
SCHEMBL7598982 0.85 DRD2 (0.58) POLBMAPK1DRD2DRD4DRD3
SCHEMBL7596137 0.84 DRD2 (0.56) POLBMAPK1DRD2DRD4DRD3

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