SCHEMBL7471276

SCHEMBL7471276

CS(=O)(=O)NCC(COc1ccc(C#N)cc1)N1CC2CC(CN(Cc3ccccc3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
AR P10275 1/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.38
FAAH O00519 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6738290 0.82 THRB (0.43) HRH3THRBTSHRHSD17B10DRD2
SCHEMBL7036576 0.75 KMT2A (0.57) HRH3TSHRHSD17B10KCNH2MEN1
SCHEMBL7471272 0.71 DRD2 (0.38) THRBDRD2DRD3KCNH2
SCHEMBL6325206 0.69 MEN1 (0.48) HRH3TSHRHSD17B10DRD2DRD3
SCHEMBL6740295 0.68 ALDH1A1 (0.43) ARKCNH2ALDH1A1MAPT
SCHEMBL7480893 0.68 HRH3 (0.39) HRH3HRH1KCNH2
SCHEMBL10410778 0.67 FUCA1 (0.42) DRD2MEN1KMT2AS1PR5
SCHEMBL6326862 0.67 MEN1 (0.52) HRH3THRBTSHRHSD17B10DRD2
SCHEMBL6326790 0.67 MEN1 (0.52) HRH3THRBTSHRHSD17B10DRD2
SCHEMBL6742584 0.66 KCNH2 (0.44) HRH3HSD17B10HRH1KCNH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed