SCHEMBL5756579

SCHEMBL5756579

CCS(=O)(=O)Nc1ccc(NC(=O)CN2CC(c3ccc(OC)c(OC4CCCO4)c3)CC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
PDE4A P27815 10/20 0.43
PDE4B Q07343 9/20 0.43
TP53 P04637 3/20 0.42
PDE4C Q08493 6/20 0.42
PDE4D Q08499 6/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL3546408 1.00 SMN1; SMN2 (0.45) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3548172 0.93 SMN1; SMN2 (0.46) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3546489 0.90 SMN1; SMN2 (0.52) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3551575 0.90 SMN1; SMN2 (0.49) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3547789 0.90 SMN1; SMN2 (0.48) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3554548 0.89 SMN1; SMN2 (0.49) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL5246847 0.89 TP53 (0.56) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3545839 0.89 SMN1; SMN2 (0.43) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3548397 0.89 SMN1; SMN2 (0.47) SMN1; SMN2PDE4APDE4BTP53PDE4C
SCHEMBL3547641 0.89 PDE4B (0.49) SMN1; SMN2PDE4APDE4BTP53PDE4C

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-1613590-A2 4-(3,4-DISUBSTITUTED PHENYL)-PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2006-01-11 EP claimed
WO-2004094375-A2 4 - (3,4 - DISUBSTITUTED PHENYL) - PYRROLIDIN-2-ONE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO claimed