SCHEMBL7961897

SCHEMBL7961897

CC(C)(C)[Si](OC1CCC(n2cc(C(=O)Nc3c(Cl)cncc3Cl)c(=O)c3cccnc32)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.51
KCNH2 Q12809 7/20 0.51
PDE4B Q07343 7/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
ELANE P08246 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
HTR6 P50406 1/20 0.35
PKM P14618 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
SCHEMBL7955468 1.00 PDE4A (0.51) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7951781 0.91 PDE4A (0.42) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7951784 0.91 PDE4A (0.42) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7960486 0.88 ELANE (0.42) PDE4AKCNH2ELANES1PR1S1PR3
SCHEMBL7946333 0.88 ELANE (0.42) PDE4AKCNH2ELANES1PR1S1PR3
SCHEMBL7951678 0.88 CNR1 (0.43) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7951680 0.88 CNR1 (0.43) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7953708 0.87 PDE4A (0.38) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7963038 0.87 PDE4A (0.38) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7951623 0.86 KCNH2 (0.37) PDE4AKCNH2PDE4BPDE4CPDE4D

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