SCHEMBL7597602

SCHEMBL7597602

Cc1ccc(C)c(N2CCN(CCCNC(=O)C(NS(C)(=O)=O)c3ccccc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58
DRD2 P14416 3/20 0.55
DRD4 P21917 3/20 0.55
DRD3 P35462 3/20 0.55
MAPT P10636 7/20 0.54
ALDH1A1 P00352 1/20 0.53
TP53 P04637 5/20 0.53
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.48

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
SCHEMBL7596152 0.90 ADRA1D (0.58) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7602249 0.86 ADRA1D (0.77) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7596123 0.85 ADRA1D (0.64) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7596145 0.84 ADRA1D (0.56) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7597676 0.84 ADRA1D (0.63) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7602358 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7603299 0.83 ADRA1D (0.62) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7596968 0.81 ADRA1D (0.59) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7601960 0.76 ADRA1D (0.71) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL7601974 0.76 DRD2 (0.61) ADRA1DADRA1AADRA1BDRD2DRD4

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 5 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 claimed
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