SCHEMBL31484653

SCHEMBL31484653

O=C(OCO)C(=O)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
CHKA P35790 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.37
SIGMAR1 Q99720 1/20 0.35
HSD11B1 P28845 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL4629960 0.82 MAPT (0.57) TPSAB1TPSD1TPSG1CA2CA12
Hydrochloric Acid SCHEMBL4121810 0.81 MAPT (0.56) TPSAB1TPSD1TPSG1CA2CA12
SCHEMBL4752290 0.79 CA2 (0.45) TPSAB1TPSD1TPSG1CA2CA12
Hydrochloric Acid SCHEMBL1162239 0.78 CA2 (0.43) TPSAB1TPSD1TPSG1CA2CA12
SCHEMBL5875276 0.77 SMN1; SMN2 (0.44) TPSAB1TPSD1TPSG1CA2CA12
SCHEMBL17427968 0.75 CA2 (0.45) TPSAB1TPSD1TPSG1CA2CA12
SCHEMBL9396214 0.75 CA2 (0.59) TPSAB1TPSD1TPSG1CA2CA12
SCHEMBL4630056 0.74 SIGMAR1 (0.50) GAASIGMAR1L3MBTL1POLBKMT2A
SCHEMBL3821587 0.71 CA2 (0.54) CA2CA12CA1CA9CHKA
SCHEMBL2264197 0.71 CA2 (0.41) CA2CA12CA1CA9CHKA

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
CN-119775260-A Pyrimidine-2, 4 (1H, 3H) -dione compounds, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2025-04-08 CN disclosed