SCHEMBL7336085

SCHEMBL7336085

COc1ccc(C2CC(=O)N(C(=O)O)N2C)cc1OC1CCCC1.NCCCn1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.43
QPCT Q16769 4/20 0.42
PDE4B Q07343 9/20 0.42
PDE4C Q08493 5/20 0.42
PDE4D Q08499 5/20 0.42
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
VEGFA P15692 1/20 0.40

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
SCHEMBL7336073 0.86 QPCT (0.49) PDE4AQPCTPDE4D
SCHEMBL5964136 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL7329796 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4D
SCHEMBL7327462 0.82 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7333917 0.80 PDE4B (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7396364 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7292161 0.79 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL7294704 0.77 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DVEGFA
Hydrochloric Acid SCHEMBL7290286 0.76 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DVEGFA
SCHEMBL7301150 0.74 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DVEGFA

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-5250700-A Phosphodiesterase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-05 US disclosed