SCHEMBL7955415

SCHEMBL7955415

CC(C)(C)NC(=O)c1cn([C@H]2CC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)c2ncccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.43
PDE4B Q07343 4/20 0.43
PDE4D Q08499 4/20 0.43
PDE4C Q08493 3/20 0.43
KCNH2 Q12809 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
PKM P14618 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL7960402 1.00 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7963505 0.91 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7960314 0.91 PDE4A (0.46) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7946356 0.90 KDM4E (0.43) PDE4AKCNH2PKMHTR6
SCHEMBL7960397 0.90 KDM4E (0.43) PDE4AKCNH2PKMHTR6
SCHEMBL7966424 0.89 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7951811 0.89 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7951809 0.89 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7955452 0.89 PDE4A (0.43) PDE4APDE4BPDE4DPDE4CKCNH2
SCHEMBL7951680 0.89 CNR1 (0.43) PDE4APDE4BPDE4DPDE4CKCNH2

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
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed