SCHEMBL6624652

SCHEMBL6624652

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.56
TDP1 Q9NUW8 3/20 0.54
ALDH1A1 P00352 6/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 2/20 0.45
PKM P14618 1/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 4/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL6621097 0.86 ALDH1A1 (0.50) DRD4TDP1ALDH1A1MAPTHTT
SCHEMBL6737742 0.86 ALDH1A1 (0.50) DRD4TDP1ALDH1A1MAPTHTT
SCHEMBL7960624 0.85 L3MBTL1 (0.57) DRD4MAPTHTTLMNAKMT2A
SCHEMBL6621718 0.84 MAPK1 (0.47) DRD4MAPTKMT2AMEN1MAPK1
SCHEMBL6622630 0.83 MEN1 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6619543 0.83 MEN1 (0.53) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6619778 0.82 KMT2A (0.57) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6619294 0.81 DRD4 (0.46) DRD4TDP1ALDH1A1MAPTHTT
SCHEMBL6620166 0.78 ADRB2 (0.59) MAPK1KDM4EPOLB
SCHEMBL6622872 0.78 L3MBTL1 (0.45) DRD4TDP1ALDH1A1MAPTHTT

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