SCHEMBL7355695

SCHEMBL7355695

COc1ccc(C2CNC(=O)N2C)cc1OC1CC2CC1c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.40
PDE4A P27815 6/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
CYP3A4 P08684 2/20 0.39
VEGFA P15692 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE5A O76074 1/20 0.39
TNF P01375 1/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39

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
SCHEMBL7361217 0.78 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL7364010 0.77 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9377193 0.74 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9377344 0.73 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL4637249 0.73 ALDH1A1 (0.50) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7362175 0.71 TUBB4A (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL9183121 0.71 TUBB4A (0.45) PDE4BPDE4APDE4CPDE4D
SCHEMBL8575965 0.70 PDE4A (0.63) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL7362170 0.69 TUBB4A (0.43) PDE4BPDE4APDE4CPDE4D
SCHEMBL7364678 0.68 PDE4B (0.47) 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