SCHEMBL22650819

SCHEMBL22650819

Nc1ccc(N2CCC(N3CCC3)CC2=O)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.39
HRH1 P35367 1/20 0.39
AKR1C3 P42330 1/20 0.38
L3MBTL3 Q96JM7 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MGLL Q99685 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
SCHEMBL22650818 0.88 PIK3CA (0.37) HRH3HRH1L3MBTL3L3MBTL1
SCHEMBL22650822 0.86 CHRNB2 (0.37) HRH3HRH1AKR1C3CHRNB2CHRNA4
SCHEMBL22650820 0.85 CHRNB2 (0.34) HRH3HRH1AKR1C3L3MBTL3CHRNB2
SCHEMBL22650564 0.80 HRH3 (0.44) HRH3L3MBTL1
SCHEMBL22650730 0.79 ALOX5AP (0.40) HRH3AKR1C3CHRNB2CHRNA4
SCHEMBL29462389 0.76 ALOX5AP (0.37) AKR1C3L3MBTL3CHRNB2CHRNA4
SCHEMBL22650368 0.76 ALOX5AP (0.37) AKR1C3L3MBTL3CHRNB2CHRNA4
SCHEMBL13769029 0.76 L3MBTL3 (0.64) HRH3L3MBTL3L3MBTL1KCNH2
SCHEMBL18291492 0.75 CHRNB2 (0.39) HRH3HRH1L3MBTL3L3MBTL1CHRNB2
SCHEMBL2724459 0.74 L3MBTL3 (0.62) HRH3L3MBTL3L3MBTL1KCNH2

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
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed