SCHEMBL7366699

SCHEMBL7366699

COc1ccc(C(C=O)=CN)cc1OC1Cc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.62
PDE4D Q08499 12/20 0.62
PDE4A P27815 10/20 0.62
PDE4C Q08493 10/20 0.62
NOX1 Q9Y5S8 1/20 0.46
MAPK14 Q16539 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL9184286 1.00 PDE4B (0.62) PDE4BPDE4DPDE4APDE4CNOX1
SCHEMBL3371531 0.81 PDE4D (0.69) PDE4BPDE4DPDE4APDE4CNOX1
SCHEMBL7913459 0.79 PDE4D (0.70) PDE4BPDE4DPDE4APDE4CNOX1
SCHEMBL498539 0.78 ALDH1A1 (0.60) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL4825206 0.77 PDE4B (0.61) PDE4BPDE4DPDE4APDE4CNOX1
SCHEMBL7441489 0.77 PDE4B (0.63) PDE4BPDE4DPDE4APDE4C
SCHEMBL7359869 0.75 MAPT (0.67) PDE4BPDE4DPDE4APDE4CNOX1
SCHEMBL1157507 0.74 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CGAA
SCHEMBL9187839 0.73 PDE4B (0.64) PDE4BPDE4DPDE4APDE4C
SCHEMBL7360000 0.73 PDE4B (0.64) PDE4BPDE4DPDE4APDE4C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459145-A Calcium independent camp phosphodiesterase inhibitor antidepressant PFIZER INC. (US) 1995-10-17 US disclosed
US-5294730-A A-Amino-4-alkoxy-3-polycycloalkyloxybenzyl cyanide derivatives PFIZER INC. (US) 1994-03-15 US disclosed
EP-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed
US-5196426-A CALCIUM INDEPENDENT C AMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1993-03-23 US disclosed
US-5128358-A Aryl substituted nitrogen heterocyclic antidepressants PFIZER INC. (US) 1992-07-07 US disclosed
EP-0247725-A2 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER INC. (US) 1987-12-02 EP disclosed
WO-1987006576-A1 CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1987-11-05 WO disclosed