SCHEMBL6624165

SCHEMBL6624165

CCN(c1ccc(NC(=O)OC2CC(=O)N(CCN3CCCC3)C2)cc1)c1nc(C)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.35
MAOB P27338 3/20 0.35
TERT O14746 10/20 0.34
BCHE P06276 3/20 0.34
POT1 Q9NUX5 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 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
SCHEMBL6613618 0.86 GFER (0.44) ALDH1A1L3MBTL1HPGDGFERSMN1; SMN2
SCHEMBL5841936 0.86 ALDH1A1 (0.49) ALDH1A1L3MBTL1HPGDTSHRGFER
SCHEMBL6614116 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1SMN1; SMN2MAOBBCHE
SCHEMBL6613161 0.83 RXFP3 (0.37) ALDH1A1L3MBTL1HPGDTSHRGFER
SCHEMBL6611837 0.82 ALDH1A1 (0.39) ALDH1A1L3MBTL1HPGDTSHRGFER
SCHEMBL6609711 0.82 ALDH1A1 (0.39) ALDH1A1L3MBTL1HPGDTSHRGFER
SCHEMBL6665519 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1HPGDTSHRGFER
SCHEMBL6611922 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1HPGDTSHRGFER
SCHEMBL5843789 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1HPGDTSHRGFER
SCHEMBL6611399 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1HPGDTSHRGFER

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