SCHEMBL7365345

SCHEMBL7365345

COc1ccc(C(C#N)C=O)cc1OC1Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.49
PDE4A P27815 12/20 0.48
PDE4C Q08493 8/20 0.48
PDE4D Q08499 8/20 0.48
ACHE P22303 2/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 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
SCHEMBL1057669 0.81 ACHE (0.54) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL7149298 0.78 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL6587617 0.77 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL7364925 0.76 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL6586771 0.76 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL498539 0.76 ALDH1A1 (0.60) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7364040 0.74 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL7142709 0.74 PDE4B (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL7144760 0.73 PDE4B (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL7919796 0.72 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D

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