SCHEMBL8301010

SCHEMBL8301010

CC(=O)N1CC[N]CC1.COc1ccc(N2CC[N]CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ AKR1C3 P42330 1/20 0.52
▸ HTT P42858 2/20 0.49
▸ GFER P55789 2/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ FAAH O00519 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 2/20 0.47

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
SCHEMBL4182066 0.86 L3MBTL1 (0.73) L3MBTL1ALDH1A1GAAAKR1C3HTT
SCHEMBL218541 0.86 HTR3E (0.61) L3MBTL1ALDH1A1GAAAKR1C3KMT2A
SCHEMBL2093519 0.80 HTR3E (0.54) L3MBTL1ALDH1A1GAAKMT2AHTR3E
SCHEMBL8301012 0.77 L3MBTL1 (0.50) L3MBTL1ALDH1A1GAAAKR1C3HTT
SCHEMBL19049426 0.75 L3MBTL1 (0.71) L3MBTL1ALDH1A1GAAAKR1C3HTT
SCHEMBL2094842 0.75 HPGD (0.73) L3MBTL1ALDH1A1GAADRD3LMNA
SCHEMBL27976453 0.74 AKR1C3 (0.85) L3MBTL1ALDH1A1GAAAKR1C3HTT
SCHEMBL19049598 0.73 GFER (0.56) L3MBTL1ALDH1A1GAAAKR1C3HTT
SCHEMBL632352 0.73 L3MBTL1 (0.73) L3MBTL1ALDH1A1GAAAKR1C3HTT
SCHEMBL29656856 0.73 HTR3E (0.73) L3MBTL1ALDH1A1GAAAKR1C3HTT

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-0598046-B1 CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMA (US) 1999-03-24 — — EP claimed
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