SCHEMBL21216115

SCHEMBL21216115

C#Cc1ccc(CN(CCO)CC2CCCCN2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADRA2A P08913 1/20 0.33

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
SCHEMBL21216241 0.84 KDM4E (0.51) SIGMAR1KDM4EHSD17B10CHRNB2ADRA2A
SCHEMBL20535067 0.84 KDM4E (0.37) KDM4EHSD17B10HRH3
SCHEMBL20535084 0.80 KDM1A (0.39) —
SCHEMBL20535916 0.77 NR1D1 (0.35) SIGMAR1KDM4EHSD17B10MEN1KMT2A
SCHEMBL20535903 0.74 KDM1A (0.34) —
SCHEMBL12694261 0.74 HTT (0.46) KDM4EHSD17B10HRH3MEN1KMT2A
SCHEMBL24317470 0.70 ADRA2A (0.44) SIGMAR1MEN1KMT2AADRA2A
SCHEMBL21216287 0.69 JAK2 (0.34) KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL20534760 0.68 HTR5A (0.43) KDM4EHSD17B10
SCHEMBL20535219 0.67 KDM4E (0.50) KDM4EHSD17B10HRH3MEN1KMT2A

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
WO-2019145713-A9 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS EVONETIX LTD (GB) 2020-08-06 — — WO disclosed
WO-2019145713-A1 OLIGONUCLEOTIDE AND NUCLEIC ACID SYNTHESIS EVONETIX LTD (GB) 2019-08-01 — — WO disclosed
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