SCHEMBL7961978

SCHEMBL7961978

O=C(N[C@H]1CC[C@H](n2cc(C(=O)Nc3c(Cl)cncc3Cl)c(=O)c3cccnc32)CC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.53
KCNH2 Q12809 4/20 0.53
P2RX7 Q99572 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
PDE4B Q07343 8/20 0.39
PDE4C Q08493 8/20 0.39
PDE4D Q08499 8/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL7961980 1.00 PDE4A (0.53) PDE4AKCNH2P2RX7ALDH1A1GAA
SCHEMBL7960495 0.88 PDE4A (0.54) PDE4AKCNH2P2RX7PDE4BPDE4C
SCHEMBL7953933 0.87 PDE4A (0.53) PDE4AKCNH2P2RX7PDE4BPDE4C
SCHEMBL7961918 0.86 PDE4A (0.58) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7961917 0.86 PDE4A (0.58) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7963864 0.86 ALDH1A1 (0.48) PDE4AKCNH2ALDH1A1GAAPDE4B
SCHEMBL7954789 0.86 ALDH1A1 (0.48) PDE4AKCNH2ALDH1A1GAAPDE4B
SCHEMBL7960506 0.85 PDE4A (0.66) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7953478 0.85 PDE4A (0.53) PDE4AKCNH2P2RX7PDE4BPDE4C
SCHEMBL7953479 0.85 PDE4A (0.53) PDE4AKCNH2P2RX7PDE4BPDE4C

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