SCHEMBL6617040

SCHEMBL6617040

O=C(Nc1ccc(-c2ccccc2)cc1)OC1CC(=O)N(CCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.47
POLB P06746 3/20 0.46
BCHE P06276 3/20 0.46
MAOB P27338 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GFER P55789 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 1/20 0.42
SMAD3 P84022 1/20 0.42

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
SCHEMBL6614668 0.91 MGLL (0.55) SMN1; SMN2HPGDPOLBBCHEMAOB
SCHEMBL6611690 0.89 SMN1; SMN2 (0.46) SMN1; SMN2HPGDPOLBBCHEMAOB
SCHEMBL6610739 0.84 SMN1; SMN2 (0.48) SMN1; SMN2HPGDPOLBATMKMT2A
SCHEMBL6611026 0.81 HPGD (0.53) SMN1; SMN2HPGDPOLBATMKMT2A
SCHEMBL5842481 0.81 SMN1; SMN2 (0.69) SMN1; SMN2HPGDPOLBKMT2ATP53
SCHEMBL6612851 0.80 SMN1; SMN2 (0.42) SMN1; SMN2HPGDPOLBBCHEATM
SCHEMBL6611567 0.79 NPY5R (0.51) SMN1; SMN2HPGDKMT2ATP53MEN1
SCHEMBL27412760 0.79 POLB (0.53) SMN1; SMN2HPGDPOLBATMKMT2A
SCHEMBL6613618 0.79 GFER (0.44) SMN1; SMN2HPGDPOLBBCHEATM
SCHEMBL6613455 0.78 NPC1 (0.45) SMN1; SMN2BCHEMAOBKMT2AMEN1

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