SCHEMBL11045277

SCHEMBL11045277

CN1CC2CN(C)CC(C1)C2OC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
CHRNA7 P36544 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
CHRM4 P08173 2/20 0.47
CHRM3 P20309 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
GAA P10253 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45

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
SCHEMBL11046189 0.90 OPRM1 (0.48) MEN1KMT2AHTR3EHTR3BCHRNA7
SCHEMBL11051361 0.85 SCN1A (0.59) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL27052723 0.84 CHRM2 (0.52) MEN1KMT2AHTR3EHTR3BCHRNA7
SCHEMBL11053024 0.84 L3MBTL1 (0.57) MEN1KMT2ACHRNA7SCN1ASCN2A
SCHEMBL11067038 0.83 HRH3 (0.52) SCN1ASCN2ASCN3AGAATSHR
SCHEMBL11044803 0.83 SCN1A (0.53) MEN1KMT2AOPRM1OPRD1SCN1A
SCHEMBL11048109 0.83 ALDH1A1 (0.43) MEN1KMT2AOPRM1OPRD1SCN1A
SCHEMBL11044959 0.82 ALDH1A1 (0.53) KMT2ACHRNA7GAA
SCHEMBL11047716 0.79 POLB (0.59) MEN1KMT2ACHRM4CHRM3CHRM2
SCHEMBL10635659 0.79 MEN1 (0.46) MEN1KMT2AHTR3EHTR3BCHRNA7

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
US-4451473-A 3,7-Diazabicyclo [3.3.1] nonanes having anti-arrhythmic activity RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-05-29 US claimed
US-4451473-A 3,7-Diazabicyclo [3.3.1] nonanes having anti-arrhythmic activity RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-05-29 US disclosed