SCHEMBL4048623

SCHEMBL4048623

NC(=O)c1ccc(N2CCN(C3CC3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.62
ITGB3 P05106 2/20 0.61
ITGA2B P08514 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALOX15 P16050 1/20 0.60
L3MBTL3 Q96JM7 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MBTD1 Q05BQ5 1/20 0.54
TP53BP1 Q12888 1/20 0.54
L3MBTL4 Q8NA19 1/20 0.54
F2 P00734 2/20 0.53
PRSS1 P07477 2/20 0.53
PRSS2 P07478 2/20 0.53
PRSS3 P35030 2/20 0.53
TMPRSS6 Q8IU80 2/20 0.53
ST14 Q9Y5Y6 2/20 0.53
CHRNA7 P36544 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50

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
SCHEMBL30361159 0.92 HRH3 (0.65) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL13034092 0.87 L3MBTL3 (0.71) HRH3ITGB3ITGA2BALOX15L3MBTL3
SCHEMBL4037902 0.86 L3MBTL3 (0.69) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL1305974 0.85 USP2 (0.63) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL6270469 0.84 HRH3 (0.57) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL4131556 0.84 HRH3 (0.60) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL13648854 0.81 ALDH1A1 (0.66) ITGB3ITGA2BMEN1KMT2AALOX15
Hydrochloric Acid SCHEMBL3967625 0.80 ALDH1A1 (0.64) ITGB3ITGA2BMEN1KMT2AALOX15
SCHEMBL4553154 0.80 L3MBTL3 (0.57) HRH3ITGB3ITGA2BMEN1KMT2A
SCHEMBL1430626 0.80 HRH3 (0.55) HRH3ITGB3ITGA2BMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974766-A N-benzyl-3-phenylamide derivatives, pharmaceutical compositions containing same and uses thereof 中国药科大学 2023-04-18 CN claimed
EP-2046796-A1 TETRAHYDROFURO [3, 2 -B]PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS Amura Therapeutics Limited (GB) 2009-04-15 EP claimed
WO-2008007114-A1 TETRAHYDROFURO [3, 2 -B] PYRR0L-3-ONES AS CATHEPSIN K INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO claimed
CN-115974766-A N-benzyl-3-phenylamide derivatives, pharmaceutical compositions containing same and uses thereof 中国药科大学 2023-04-18 CN disclosed
WO-2008007109-A1 FURO[3,2-B]PYRROL-3-ONE DERIVATIVES AND THEIR USE AS CYSTEINYL PROTEINASE INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed