SCHEMBL7669922

SCHEMBL7669922

CC(C)Cn1cnc2cccc(NBr)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 4/20 0.45
▸ POLB P06746 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ NUDT1 P36639 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE1A P54750 2/20 0.37
▸ PDE1B Q01064 2/20 0.37

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
SCHEMBL8204588 0.78 POLB (0.53) TLR7POLBPDE4DLMNAHRH2
SCHEMBL3867080 0.73 TLR7 (0.42) TLR7POLBPDE4DLMNAHRH2
SCHEMBL7035381 0.72 NPSR1 (0.46) LMNAALDH1A1NPSR1KDM4E
SCHEMBL12413754 0.70 TP53 (0.48) TLR7POLBPDE4DLMNAHRH2
SCHEMBL3350693 0.70 TLR7 (0.47) TLR7POLBPDE4DLMNAHRH2
Hydrochloric Acid SCHEMBL9602331 0.70 TLR7 (0.56) TLR7POLBPDE4DLMNAHRH2
SCHEMBL1026002 0.69 APAF1 (0.67) POLBLMNASMN1; SMN2APAF1TDP1
SCHEMBL7025957 0.69 TLR7 (0.46) TLR7POLBPDE4DLMNAHRH2
SCHEMBL564029 0.69 TLR7 (0.59) TLR7POLBPDE4DLMNAHRH2
SCHEMBL29379266 0.69 TLR7 (0.59) TLR7POLBPDE4DLMNAHRH2

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-6495583-B1 DRUG FOR TREATING AN ALPHA-2 ADRENERGIC RECEPTOR ASSOCIATED DISORDER, NASAL CONGENSTION AND ALLEVIATING PAIN SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-17 — — US disclosed
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