SCHEMBL25807136

SCHEMBL25807136

COC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)OC(C)(C)C)C2(C(F)(F)F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.35
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 1/20 0.34
PTPN1 P18031 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCR2 P41597 2/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL25807137 0.88 HSD17B10 (0.35) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL13689075 0.83 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1CHRM2
SCHEMBL4301758 0.83 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1CHRM2
SCHEMBL13689099 0.82 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1CHRM2
SCHEMBL16847037 0.82 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1CHRM2
SCHEMBL4305518 0.82 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1CHRM2
SCHEMBL14451046 0.82 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1CHRM2
SCHEMBL16843376 0.82 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1CHRM2
SCHEMBL3486477 0.82 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1CHRM2
SCHEMBL15233400 0.82 NR1H2 (0.35) PDE4BNR1H2NR1H3PTPN1CHRM2

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-2023116734-A1 FUSED PYRROLIDINE COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF RESPIRATORY VIRAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-06-29 WO disclosed