SCHEMBL7652196

SCHEMBL7652196

COc1ccc2c(c1CC1CCCC1)CC[N+]([O-])=C2Cc1c(Cl)cncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 19/20 0.44
PDE4A P27815 15/20 0.44
PDE4B Q07343 15/20 0.44
PDE4C Q08493 15/20 0.44
P2RX7 Q99572 1/20 0.34

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
SCHEMBL7652296 0.81 PDE4D (0.50) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7991157 0.63 PDE4B (0.67) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586930 0.61 PDE4B (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL7655767 0.60 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL8222343 0.58 PDE4B (0.55) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7657365 0.57 PDE4A (0.44) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7654903 0.57 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL7420334 0.57 PDE4D (0.68) PDE4DPDE4APDE4BPDE4C
SCHEMBL4366179 0.57 PDE4B (0.74) PDE4DPDE4APDE4BPDE4C
SCHEMBL6586317 0.57 PDE4B (1.00) PDE4DPDE4APDE4BPDE4C

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
US-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed