SCHEMBL4755217

SCHEMBL4755217

O=C(O[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.73
HTR3E A5X5Y0 1/20 0.73
HTR3B O95264 1/20 0.73
HTR3A P46098 1/20 0.73
HTR3D Q70Z44 1/20 0.73
HTR3C Q8WXA8 1/20 0.73
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL4755219 1.00 CHRNA7 (0.73) CHRNA7HTR3EHTR3BHTR3AHTR3D
Benzoyl Tropine SCHEMBL1103723 0.84 HTR3E (1.00) CHRNA7HTR3EHTR3BHTR3AHTR3D
Benzoyl Tropine SCHEMBL221830 0.84 HTR3E (1.00) CHRNA7HTR3EHTR3BHTR3AHTR3D
Benzoyl Tropine SCHEMBL30954638 0.84 HTR3E (1.00) CHRNA7HTR3EHTR3BHTR3AHTR3D
Benzoyl Tropine SCHEMBL3498565 0.83 HTR3E (0.97) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL221027 0.82 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL220761 0.82 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL221026 0.82 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL23086436 0.82 POLB (0.77) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2770045 0.82 POLB (0.77) CHRNA7HTR3EHTR3BHTR3AHTR3D

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-1948653-A1 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-07-30 EP disclosed
WO-2007054531-A1 8-AZA-BICYCLO[3.2.1]OCTANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-05-18 WO disclosed