SCHEMBL7367940

SCHEMBL7367940

COc1ccc(C(=O)C=CN(C)C)cc1OC1CC2CCC1C2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
PDE4B Q07343 13/20 0.62
PDE4A P27815 12/20 0.62
PDE4C Q08493 12/20 0.62
PDE4D Q08499 12/20 0.62
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
ABCG2 Q9UNQ0 2/20 0.43
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7367938 1.00 MAPT (0.64) MAPTLMNAPDE4BPDE4APDE4C
SCHEMBL7364522 0.86 PDE4B (0.67) MAPTLMNAPDE4BPDE4APDE4C
SCHEMBL7333823 0.83 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7355649 0.83 PDE4B (0.82) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL783250 0.79 MAPT (1.00) MAPTLMNAALDH1A1HPGDABCG2
SCHEMBL805341 0.79 MAPT (1.00) MAPTLMNAALDH1A1HPGDABCG2
SCHEMBL5030807 0.79 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL10780014 0.79 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL9187839 0.78 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3B
SCHEMBL7360000 0.78 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DPDE3B

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