SCHEMBL8560931

SCHEMBL8560931

[CH2]C(CC)(Cc1ccccn1)N1CCC(C(=O)O)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
KDM4E B2RXH2 5/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
EGFR P00533 3/20 0.37

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
SCHEMBL6994948 0.73 L3MBTL1 (0.97) L3MBTL1KDM4ECYP2C19POLBCYP2D6
Tert-Butylamine SCHEMBL28089931 0.72 L3MBTL1 (0.83) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL28089929 0.71 L3MBTL1 (0.57) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL21061629 0.69 L3MBTL1 (0.82) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL21061969 0.69 L3MBTL1 (0.82) L3MBTL1KDM4ECYP2C19POLBCYP2D6
SCHEMBL8557410 0.68 L3MBTL1 (0.51) L3MBTL1KDM4ECYP2C19POLBALDH1A1
SCHEMBL3917901 0.68 L3MBTL1 (0.60) L3MBTL1KDM4ECYP2C19ALDH1A1MEN1
SCHEMBL7562443 0.67 L3MBTL1 (0.58) L3MBTL1KDM4ECYP2C19POLBALDH1A1
SCHEMBL7562439 0.67 L3MBTL1 (0.58) L3MBTL1KDM4ECYP2C19POLBALDH1A1
SCHEMBL13006881 0.67 GAA (0.64) KDM4ECYP2C19POLBCYP2D6MEN1

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-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed