SCHEMBL3208409

SCHEMBL3208409

O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(F)c2cn1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.61
HTR3A P46098 3/20 0.61
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61

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
SCHEMBL3205878 1.00 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL3203971 0.84 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL3196537 0.84 CHRNA7 (0.69) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL3364113 0.82 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6101527 0.81 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6101789 0.81 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL3198058 0.81 CHRNA7 (0.64) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6099922 0.79 HTR3A (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6099259 0.79 CHRNA7 (0.58) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6098232 0.78 CHRNA7 (0.56) 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
US-7683075-B2 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof NOVARTIS AG (CH) 2010-03-23 US claimed