SCHEMBL7601484

SCHEMBL7601484

O=C(NCCCN1CCN(c2ccccc2Cl)CC1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.70
DRD4 P21917 7/20 0.70
DRD3 P35462 11/20 0.60
OPRM1 P35372 1/20 0.59
SLC6A4 P31645 3/20 0.57
SLC6A2 P23975 2/20 0.57
ADRA1A P35348 1/20 0.55
FAAH O00519 2/20 0.54
CNR1 P21554 1/20 0.54
HTR1A P08908 2/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL7602613 0.87 ADRA1A (0.61) DRD2DRD4DRD3SLC6A4ADRA1A
SCHEMBL7596111 0.85 ADRA1D (0.56) DRD2DRD4DRD3OPRM1ADRA1A
SCHEMBL7600435 0.84 DRD2 (0.74) DRD2DRD4DRD3SLC6A4SLC6A2
SCHEMBL7599573 0.84 HTR2A (0.63) DRD2DRD3SLC6A4ADRA1AHTR1A
SCHEMBL7599519 0.84 DRD2 (0.53) DRD2DRD4DRD3OPRM1SLC6A4
SCHEMBL7597593 0.83 DRD2 (0.59) DRD2DRD4DRD3SLC6A4SLC6A2
SCHEMBL7601949 0.82 ADRA1D (0.62) DRD2DRD4DRD3OPRM1SLC6A4
SCHEMBL7599561 0.82 ADRA1D (0.55) DRD2DRD4DRD3OPRM1SLC6A4
SCHEMBL7601974 0.81 DRD2 (0.61) DRD2DRD4DRD3ADRA1A
SCHEMBL7601660 0.81 ADRA1D (0.56) DRD2DRD4DRD3ADRA1A

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