SCHEMBL8326701

SCHEMBL8326701

[CH2]C1CCN(CC(C)CC)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
SLC18A3 Q16572 1/20 0.33
NAMPT P43490 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8326704 0.81 SIGMAR1 (0.47) SIGMAR1HRH3MEN1KMT2A
SCHEMBL8325794 0.80 PIK3CD (0.43) NAMPTHRH3
SCHEMBL11570592 0.79
SCHEMBL20801740 0.79 GRIN2D (0.37) SIGMAR1SLC18A3NAMPTGRIN2DGRIN3B
SCHEMBL19622374 0.79 SHBG (0.39) SIGMAR1SLC18A3NAMPTGRIN2DGRIN3B
SCHEMBL11911619 0.77 RBP1 (0.38) SIGMAR1GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL22550643 0.76 UBE2M (0.35) SIGMAR1SLC18A3UBE2MDCUN1D1HRH3
SCHEMBL22550363 0.76 UBE2M (0.35) SIGMAR1SLC18A3UBE2MDCUN1D1HRH3
SCHEMBL11911609 0.76 HRH3 (0.38) SIGMAR1SLC18A3NAMPTUBE2MDCUN1D1
SCHEMBL22856535 0.76 GRIN2D (0.33) SIGMAR1GRIN2DGRIN3BADRA1DADRA1A

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-0604494-B1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-07-28 EP disclosed
CN-1040436-C Pharmaceuticals SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
CN-1073173-A Preparation method as the compound of 5-hydroxytryptamine receptor antagonist SMITHKLINE BEECHAM PLC (GB) 1993-06-16 CN disclosed