SCHEMBL6463844

SCHEMBL6463844

O=C(O)NCCCCC(=O)NCC(O)(CCc1ccccc1)c1nc(C(=O)NC(c2ccccc2)c2ccccc2)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HPGDS O60760 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
TBXA2R P21731 1/20 0.33
NAMPT P43490 2/20 0.33

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
SCHEMBL6463781 0.84 SMN1; SMN2 (0.39) LMNATSHRHDAC6HDAC3HDAC1
SCHEMBL6465290 0.83 CYP3A4 (0.46) LMNATSHRKMT2APOLBTBXA2R
SCHEMBL6465152 0.71 MAPT (0.39) LMNAL3MBTL1HPGDMEN1KMT2A
SCHEMBL7049306 0.64 DAGLA (0.44) LMNATSHRHDAC6HDAC2HDAC8
SCHEMBL6466202 0.62 LMNA (0.36) LMNATSHRHPGDMEN1KMT2A
SCHEMBL15549122 0.61 HDAC3 (0.72) LMNATSHRL3MBTL1HDAC6HDAC3
SCHEMBL22196183 0.61 LMNA (0.64) LMNATSHRL3MBTL1HDAC6HDAC3
SCHEMBL6471452 0.60 FAAH (0.42) LMNATSHRL3MBTL1HDAC6HDAC3
SCHEMBL2019835 0.59 TRPV1 (0.69) LMNATSHRL3MBTL1HPGDKMT2A
SCHEMBL2012318 0.58 SLC6A9 (0.86) SLC6A9SLC6A5LMNAHPGD

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed