SCHEMBL11290547

SCHEMBL11290547

CN(C)C(=O)c1[nH]c(=O)[nH]c1CCBr

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ TYMP P19971 2/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10926001 0.86 PDE3B (0.34) PDE3BPDE3ATYMPDHODHL3MBTL1
SCHEMBL9786614 0.80 PDE3B (0.49) PDE3BPDE3ATYMPL3MBTL1
SCHEMBL9786577 0.70 L3MBTL1 (0.46) PDE3BPDE3AL3MBTL1
SCHEMBL10876610 0.67 GSK3B (0.49) PDE3BPDE3ADHODH
SCHEMBL10968412 0.62 JAK2 (0.45) PDE3BPDE3ATYMPDHODHL3MBTL1
SCHEMBL10918334 0.62 TYMP (0.50) PDE3BPDE3ATYMPL3MBTL1
SCHEMBL10970603 0.61 CREBBP (0.40) PDE3BPDE3ATYMPDHODHL3MBTL1
SCHEMBL10968694 0.61 PDE3B (0.33) PDE3BPDE3ATYMPL3MBTL1
SCHEMBL20535215 0.58 ALDH1A1 (0.50) —
SCHEMBL7065550 0.58 L3MBTL1 (0.34) L3MBTL1

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
EP-0064705-A1 5-Aminomethyl-2,3-dihydro-2-oxo-1H-imidazole-4-carboxylic acid derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
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