SCHEMBL5227598

SCHEMBL5227598

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2ccoc2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.57
HTR3A P46098 6/20 0.57
HTR3E A5X5Y0 3/20 0.57
HTR3B O95264 3/20 0.57
HTR3D Q70Z44 3/20 0.57
HTR3C Q8WXA8 3/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CYP2D6 P10635 1/20 0.47
HTR1B P28222 1/20 0.41
OPRD1 P41143 2/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
HSD11B1 P28845 1/20 0.36
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL5229102 0.91 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL14608939 0.82 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5229487 0.82 CHRNA7 (0.41) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL14608864 0.81 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5227476 0.81 CHRNA7 (0.49) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6100330 0.81 SSTR3 (0.47)
Hydrochloric Acid SCHEMBL7126791 0.80 SSTR3 (0.46)
SCHEMBL6480054 0.79 CHRNA7 (0.57) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6489318 0.79 CHRNA7 (0.55) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5917824 0.79 CHRNA7 (0.60) CHRNA7HTR3AHTR3EHTR3BHTR3D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP claimed