SCHEMBL6609890

SCHEMBL6609890

CC(C)CN(c1ccccc1)c1ccc(NC(=O)OC2CC(=O)N(c3ccccc3C(C)C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
BCHE P06276 5/20 0.40
MAOB P27338 4/20 0.40
ACHE P22303 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
CCKBR P32239 1/20 0.34
TP53 P04637 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL6611486 0.92 ALOX15 (0.48) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6609210 0.90 ALOX15 (0.47) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6615517 0.90 ALOX15 (0.47) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6614279 0.89 ALOX15 (0.51) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6609500 0.88 ALOX15 (0.50) ALOX15BCHEMAOBACHEMEN1
SCHEMBL6612410 0.85 MAPT (0.37) BCHEMAOBACHEKMT2APOLB
SCHEMBL6609870 0.85 ALOX15 (0.55) ALOX15BCHEMAOBACHEMEN1
SCHEMBL5842336 0.85 ALOX15 (0.58) ALOX15MEN1KMT2APOLBALDH1A1
SCHEMBL6610275 0.83 MAPT (0.38) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL6614053 0.83 ALOX15 (0.41) ALOX15BCHEMAOBACHEMEN1

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