SCHEMBL31620106

SCHEMBL31620106

COc1ccc(CN2C(=O)CCC(n3nc(C)c4cc(C5=CCN(C(=O)OC(C)(C)C)CC5)c(F)cc43)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ GRM5 P41594 5/20 0.37
▸ GRM1 Q13255 5/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GABRG1 Q8N1C3 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
SCHEMBL31612887 1.00 JAK1 (0.38) JAK1TLR7TNFGRM5GRM1
SCHEMBL31282023 0.86 TNF (0.39) JAK1TNFGRM5GRM1PDK4
SCHEMBL31612864 0.85 HTT (0.42) TLR7
SCHEMBL31620111 0.85 HTT (0.42) TLR7
SCHEMBL31134648 0.81 MAPT (0.44) —
SCHEMBL31282073 0.78 PDK4 (0.38) JAK1GRM5GRM1PDK4GABRP
SCHEMBL31134476 0.77 MAPT (0.41) —
SCHEMBL31701176 0.77 BRD4 (0.39) TLR7GRM5GRM1PDK4SCN9A
SCHEMBL31612878 0.77 PDE1B (0.40) —
SCHEMBL31639698 0.76 PDK4 (0.42) TLR7GRM5GRM1PDK4HTR6

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-2025119380-A1 ESTROGEN RECEPTOR MODULATOR AND USE THEREOF 江苏威凯尔医药科技股份有限公司 2025-06-12 — — WO disclosed
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