SCHEMBL22650379

SCHEMBL22650379

COc1cc(N2CCCC(NC(=O)OC(C)(C)C)C2=O)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 11/20 0.45
FPR1 P21462 8/20 0.43
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PDE4B Q07343 3/20 0.39
MCHR1 Q99705 3/20 0.39
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL22650382 0.87 FPR2 (0.43) FPR2FPR1F2F10PRSS1
SCHEMBL14022306 0.84 FPR2 (0.45) FPR2FPR1F2F10PRSS1
SCHEMBL23168389 0.81 FPR2 (0.56) FPR2FPR1F2F10PRSS1
SCHEMBL18963928 0.81 FPR2 (0.48) FPR2FPR1F2F10PRSS1
SCHEMBL18963926 0.81 FPR2 (0.48) FPR2FPR1F2F10PRSS1
SCHEMBL23168555 0.80 FPR2 (0.43) FPR2FPR1F10
SCHEMBL5021029 0.80 FPR2 (0.49) FPR2FPR1F2F10PRSS1
SCHEMBL6817997 0.80 FPR2 (0.49) FPR2FPR1F2F10PRSS1
SCHEMBL22179666 0.80 FPR2 (0.42) FPR2FPR1F10
SCHEMBL31019171 0.80 FPR2 (0.41) FPR2FPR1F2F10PRSS1

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