SCHEMBL6665701

SCHEMBL6665701

Cc1cc(C)nc(N(C)c2ccc(NC(=O)OC3CC(=O)N(Cc4cccc5ccccc45)C3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FPR1 P21462 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
POLB P06746 1/20 0.34
FAAH O00519 1/20 0.34
HPGD P15428 1/20 0.34
NQO2 P16083 1/20 0.34
CLPP Q16740 5/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 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
SCHEMBL6665519 0.91 ALDH1A1 (0.39) ALDH1A1LMNAHTTL3MBTL1FPR1
SCHEMBL6614115 0.88 ALDH1A1 (0.49) ALDH1A1LMNAHTTL3MBTL1MEN1
SCHEMBL6669099 0.87 SLC2A1 (0.41) ALDH1A1L3MBTL1FPR1PIK3CAPIK3CB
SCHEMBL5842333 0.86 ALDH1A1 (0.51) ALDH1A1LMNAHTTL3MBTL1HPGD
SCHEMBL6612851 0.83 SMN1; SMN2 (0.42) ALDH1A1LMNAHTTL3MBTL1POLB
SCHEMBL6610259 0.82 ACHE (0.37) ALDH1A1LMNAHTTL3MBTL1HPGD
SCHEMBL6617086 0.80 KMT2A (0.36) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL6612748 0.79 RXFP3 (0.38) ALDH1A1LMNAL3MBTL1FPR1POLB
SCHEMBL6613611 0.78 ACHE (0.42) ALDH1A1L3MBTL1HPGDMTNR1AMTNR1B
SCHEMBL6614116 0.78 ALDH1A1 (0.51) ALDH1A1LMNAHTTL3MBTL1MEN1

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-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO disclosed