SCHEMBL5751253

SCHEMBL5751253

CCOC(=O)C1CCN(Cc2ccccc2)CC1O.CCOC(=O)C1CCNCC1O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.45
CCR8 P51685 1/20 0.45
KDM4E B2RXH2 2/20 0.45
BCHE P06276 2/20 0.43
ACHE P22303 2/20 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
SCHEMBL4862883 0.90 L3MBTL1 (0.57) MAPTL3MBTL1ATMALDH1A1CCR8
Hydrochloric Acid SCHEMBL28818373 0.89 L3MBTL1 (0.56) MAPTL3MBTL1ATMALDH1A1CCR8
SCHEMBL21593409 0.81 L3MBTL1 (0.57) MAPTL3MBTL1ATMALDH1A1CCR8
SCHEMBL3548161 0.81 L3MBTL1 (0.57) MAPTL3MBTL1ATMALDH1A1CCR8
SCHEMBL21593413 0.81 L3MBTL1 (0.57) MAPTL3MBTL1ATMALDH1A1CCR8
SCHEMBL29198358 0.81 L3MBTL1 (0.57) MAPTL3MBTL1ATMALDH1A1CCR8
SCHEMBL3551153 0.81 L3MBTL1 (0.57) MAPTL3MBTL1ATMALDH1A1CCR8
SCHEMBL5752863 0.81 L3MBTL1 (0.48) MAPTL3MBTL1ATMALDH1A1CCR8
Hydrochloric Acid SCHEMBL28818356 0.80 L3MBTL1 (0.56) MAPTL3MBTL1ATMALDH1A1CCR8
SCHEMBL6506401 0.80 USP30 (0.55) L3MBTL1ATMALDH1A1CCR8KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO disclosed