SCHEMBL30199336

SCHEMBL30199336

c1cncc(COC2NCCc3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
PRCP P42785 4/20 0.45
SLC22A1 O15245 1/20 0.45
RECQL P46063 1/20 0.45
KDM4C Q9H3R0 1/20 0.42
CYP19A1 P11511 1/20 0.39
CYP11B2 P19099 1/20 0.39
GAA P10253 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PTAFR P25105 1/20 0.37
GSK3B P49841 1/20 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
SCHEMBL7811178 0.85 PRCP (0.56) PRCPSLC22A1RECQLGAA
SCHEMBL8556218 0.77 PRCP (0.71) PRCPSLC22A1RECQLKDM4CGAA
SCHEMBL987517 0.73 PRCP (0.51) PRCPSLC22A1RECQLGAA
SCHEMBL31062544 0.73 CHRM2 (0.32) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL30199293 0.72 ALDH1A1 (0.44) PRCPSLC22A1GAA
SCHEMBL30199123 0.72 PRCP (0.44) PRCPSLC22A1RECQLGAA
SCHEMBL30199729 0.72 PRCP (0.39) PRCPSLC22A1
SCHEMBL8813918 0.71 GID4 (0.49) PRCPSLC22A1RECQLGAA
SCHEMBL30707979 0.71 RECQL (0.69) CHRNB2CHRNA4PRCPRECQLCYP19A1
SCHEMBL3893524 0.71 RECQL (0.69) CHRNB2CHRNA4PRCPRECQLCYP19A1

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
CN-115594669-B Parallel ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-11-05 CN disclosed
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed