SCHEMBL7601960

SCHEMBL7601960

Cc1ccc(C)c(N2CCN(CCCNC(=O)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.71
ADRA1A P35348 4/20 0.71
ADRA1B P35368 4/20 0.71
MAPT P10636 4/20 0.71
POLB P06746 3/20 0.71
TP53 P04637 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
DRD2 P14416 3/20 0.59
DRD4 P21917 3/20 0.59
DRD3 P35462 2/20 0.59
MAPK1 P28482 2/20 0.55
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL7602249 0.90 ADRA1D (0.77) ADRA1DADRA1AADRA1BMAPTPOLB
SCHEMBL7596123 0.81 ADRA1D (0.64) ADRA1DADRA1AADRA1BMAPTPOLB
SCHEMBL7601112 0.80 MAPT (0.68) MAPTPOLBTP53SMN1; SMN2DRD2
SCHEMBL7597676 0.80 ADRA1D (0.63) ADRA1DADRA1AADRA1BMAPTPOLB
SCHEMBL7603299 0.79 ADRA1D (0.62) ADRA1DADRA1AADRA1BMAPTPOLB
SCHEMBL14559610 0.78 MAPT (0.70) ADRA1DADRA1AADRA1BMAPTPOLB
SCHEMBL8369290 0.78 MAPT (0.58) ADRA1DADRA1AADRA1BMAPTPOLB
SCHEMBL7596968 0.77 ADRA1D (0.59) ADRA1DADRA1AADRA1BMAPTPOLB
SCHEMBL7599786 0.77 DRD2 (0.66) ADRA1DADRA1AADRA1BMAPTPOLB
SCHEMBL7597602 0.76 ADRA1D (0.58) ADRA1DADRA1AADRA1BMAPTPOLB

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