SCHEMBL8301012

SCHEMBL8301012

COc1ccc(N2CCN(C3CN(C(C)=O)CC[N]3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ GAA P10253 2/20 0.48
▸ SLC18A3 Q16572 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ GFER P55789 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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 0.77 L3MBTL1 (0.73) L3MBTL1AKR1C3ALDH1A1GAAMAPT
SCHEMBL9271170 0.77 SLC18A3 (0.44) L3MBTL1AKR1C3ALDH1A1SLC18A3MAPT
SCHEMBL8301010 0.77 L3MBTL1 (0.56) L3MBTL1AKR1C3ALDH1A1GAAMAPT
SCHEMBL6344083 0.76 SMN1; SMN2 (0.50) ALDH1A1SLC18A3MAPTSMN1; SMN2FAAH
SCHEMBL19049426 0.70 L3MBTL1 (0.71) L3MBTL1AKR1C3ALDH1A1GAAMAPT
SCHEMBL27976453 0.70 AKR1C3 (0.85) L3MBTL1AKR1C3ALDH1A1GAAMAPT
SCHEMBL6960504 0.69 SIGMAR1 (0.56) L3MBTL1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL29656856 0.69 HTR3E (0.73) L3MBTL1AKR1C3ALDH1A1GAASLC18A3
SCHEMBL28599511 0.69 HTR3E (0.73) L3MBTL1AKR1C3ALDH1A1GAASLC18A3
SCHEMBL632352 0.69 L3MBTL1 (0.73) L3MBTL1AKR1C3ALDH1A1GAAMAPT

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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