SCHEMBL6582011

SCHEMBL6582011

NCCN1CCN(c2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
ADRA1B P35368 12/20 0.63
HTR1A P08908 9/20 0.60
ADRA1A P35348 5/20 0.54
ADRA1D P25100 1/20 0.54
MCOLN3 Q8TDD5 2/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP3A4 P08684 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD3 P35462 1/20 0.45
OPRK1 P41145 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
PDE3A Q14432 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL4739641 0.89 ALDH1A1 (0.70) ALDH1A1ADRA1BHTR1ASLC6A2SLC6A4
SCHEMBL6577757 0.87 ALDH1A1 (0.73) ALDH1A1ADRA1BHTR1AADRA1AADRA1D
SCHEMBL6583113 0.84 ALDH1A1 (1.00) ALDH1A1ADRA1BHTR1AADRA1AADRA1D
SCHEMBL10367403 0.84 ADRA1B (0.63) ALDH1A1ADRA1BHTR1AADRA1AADRA1D
SCHEMBL9347278 0.81 KDM4E (0.62) ALDH1A1ADRA1BHTR1AADRA1AADRA1D
SCHEMBL7410473 0.81 ALDH1A1 (0.68) ALDH1A1ADRA1BHTR1AADRA1AADRA1D
SCHEMBL11214631 0.79 ADRA1B (0.61) ADRA1BHTR1AADRA1AADRA1D
SCHEMBL3210355 0.78 SLC6A2 (0.58) ALDH1A1HTR1ASLC6A2SLC6A4CYP3A4
SCHEMBL6580326 0.78 ADRA1B (0.72) ADRA1BHTR1AADRA1AADRA1D
SCHEMBL6577748 0.78 ADRA1B (1.00) ADRA1BHTR1AADRA1AADRA1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200406-B1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI CHEM PHARM (IT) 2004-11-24 EP disclosed
EP-1200406-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-05-02 EP disclosed
WO-2001005765-A1 CYCLIC AMIDES AND IMIDES HAVING SELECTIVE ANTAGONIST ACTIVITY AT ALPHA-1D ADRENERGIC RECEPTOR RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-01-25 WO disclosed