SCHEMBL5315901

SCHEMBL5315901

COc1ccccc1CCN1CC2CN(CC(=O)NCc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
HTR1A P08908 2/20 0.49
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
TSHR P16473 2/20 0.40
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5316954 0.89 POLB (0.44) DRD2HTR1AALDH1A1LMNAKDM4E
SCHEMBL5317594 0.89 HTR1A (0.40) DRD2HTR1AALDH1A1KDM4EKMT2A
SCHEMBL5314840 0.87 HTR1A (0.53) DRD2HTR1AALDH1A1KDM4EKMT2A
SCHEMBL5315934 0.87 MCHR1 (0.48) DRD2HTR1AALDH1A1LMNAKDM4E
SCHEMBL5331515 0.85 LMNA (0.50) DRD2HTR1AALDH1A1LMNAMEN1
SCHEMBL5319733 0.85 POLB (0.48) DRD2HTR1AALDH1A1KDM4EKMT2A
SCHEMBL5316681 0.84 POLB (0.40) DRD2HTR1AALDH1A1KDM4EPOLB
SCHEMBL5316192 0.83 HTT (0.52) DRD2HTR1AALDH1A1KDM4EMEN1
SCHEMBL5314874 0.83 POLB (0.54) DRD2HTR1AALDH1A1LMNAKDM4E
SCHEMBL5317453 0.82 KMT2A (0.48) DRD2HTR1AALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed