SCHEMBL5543916

SCHEMBL5543916

[CH2]c1cn2c(N3CCN(C)CC3)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 11/20 0.41
▸ HTR3B O95264 7/20 0.41
▸ HTR3E A5X5Y0 6/20 0.41
▸ HTR3D Q70Z44 6/20 0.41
▸ HTR3C Q8WXA8 6/20 0.41
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HRH4 Q9H3N8 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ADRA2C P18825 1/20 0.35
▸ HPGD P15428 1/20 0.34

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
SCHEMBL3732428 0.78 POLB (0.46) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL21516782 0.78 F10 (0.42) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL3734963 0.78 F10 (0.48) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL21516088 0.78 HTR3B (0.40) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL21516108 0.77 PTGS1 (0.42) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL21516593 0.77 F10 (0.41) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL4076536 0.77 GAA (0.39) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL4069418 0.77 F10 (0.50) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL23254033 0.74 POLB (0.36) HTR3AHTR3BHTR3EHTR3DHTR3C
SCHEMBL21516106 0.74 GAA (0.45) MEN1KMT2AKDM4EALDH1A1HPGD

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-1853604-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-11-14 — — EP disclosed
WO-2006096444-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 — — WO disclosed
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