SCHEMBL6621097

SCHEMBL6621097

CC(C)(C)OC(=O)N1CC2CC(CN(CC(O)COc3ccc([N+](=O)[O-])cc3)C2)C1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 2/20 0.48
DRD4 P21917 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 2/20 0.42
ABCB1 P08183 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
HTR2A P28223 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6623143 0.86 PRMT5 (0.46) MAPTHTTPRMT5WDR77ABCB1
SCHEMBL6624652 0.86 DRD4 (0.56) ALDH1A1MAPTHTTLMNADRD4
SCHEMBL6622413 0.85 KCNH2 (0.48) ALDH1A1MAPTPRMT5WDR77SMN1; SMN2
SCHEMBL29388816 0.85 KCNH2 (0.48) ALDH1A1MAPTPRMT5WDR77SMN1; SMN2
SCHEMBL6737742 0.83 ALDH1A1 (0.50) ALDH1A1MAPTHTTLMNADRD4
SCHEMBL6626167 0.80 L3MBTL1 (0.41) MAPTHTTLMNAPRMT5WDR77
SCHEMBL6619294 0.80 DRD4 (0.46) ALDH1A1MAPTHTTLMNADRD4
SCHEMBL6622125 0.77 KCNH2 (0.47) ALDH1A1MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL6624048 0.77 KCNH2 (0.46) ALDH1A1MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL6095152 0.75 KCNH2 (0.50) ALDH1A1MAPTPRMT5WDR77SMN1; SMN2

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-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed