SCHEMBL8266641

SCHEMBL8266641

CC(O)c1ccc([C@@H]2CC(=O)N(CC(=O)Nc3nc(C4CC4)cs3)C2)cc1O[C@@H]1CCOC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GCK P35557 1/20 0.35
ADORA1 P30542 2/20 0.35
TMIGD3 P0DMS9 1/20 0.35
TP53 P04637 1/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 5/20 0.33
ADORA2A P29274 1/20 0.33
HPGD P15428 1/20 0.33
PDE4D Q08499 4/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 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
SCHEMBL4471595 0.90 PDE4A (0.44) SMN1; SMN2PDE4AHPGDPDE4DPDE4B
SCHEMBL5307360 0.81 GAA (0.45) SMN1; SMN2TP53TSHRPDE4AHPGD
SCHEMBL13405862 0.81 PDE4A (0.45) SMN1; SMN2PDE4AHPGDPDE4DPDE4B
SCHEMBL13605240 0.80 SMN1; SMN2 (0.40) SMN1; SMN2ADORA1TMIGD3TP53TSHR
SCHEMBL4471223 0.80 PDE4A (0.42) SMN1; SMN2PDE4AHPGDPDE4DPDE4B
SCHEMBL4473617 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ADORA1TMIGD3TP53TSHR
SCHEMBL27702539 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ADORA1TMIGD3TP53TSHR
SCHEMBL4473807 0.80 GAA (0.46) SMN1; SMN2TP53TSHRPDE4AHPGD
SCHEMBL4476073 0.79 HPGD (0.46) SMN1; SMN2TP53PDE4AHPGDPDE4D
SCHEMBL4462219 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ADORA1TMIGD3TP53TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006044955-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed