SCHEMBL27949257

SCHEMBL27949257

CN1CCN(c2cc3ccccc3nc2N2CCN(C)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 13/20 0.59
▸ HTR3A P46098 8/20 0.58
▸ HTR3B O95264 5/20 0.58
▸ HTR3E A5X5Y0 4/20 0.58
▸ HTR3D Q70Z44 4/20 0.58
▸ HTR3C Q8WXA8 4/20 0.58
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ HRH3 Q9Y5N1 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ NCF1 P14598 1/20 0.52
▸ HRH1 P35367 1/20 0.51

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
SCHEMBL24971028 0.83 HRH4 (0.65) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL15865117 0.79 HRH4 (0.54) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL15865468 0.75 PIK3CD (0.57) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL15865287 0.75 PIK3CD (0.54) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL15864188 0.75 HRH4 (0.51) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL4526330 0.75 ALDH1A1 (0.60) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL7244839 0.75 HRH4 (1.00) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL30223018 0.75 HRH4 (1.00) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL404203 0.73 HRH4 (1.00) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL29268328 0.73 HRH4 (0.68) HRH4HTR3AHTR3BHTR3EHTR3D

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
CN-102827146-B Fluoroquinolone acetal ftivazide as well as preparation method and application thereof UNIV HENAN 2014-01-22 — — CN disclosed
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