SCHEMBL9739987

SCHEMBL9739987

CC(C)N1CCN(C2=CC(C)(C)Oc3ccc(OC(F)F)cc32)C(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ HSD11B1 P28845 2/20 0.32
▸ CTSD P07339 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ GAA P10253 4/20 0.32
▸ GLA P06280 3/20 0.31
▸ HPGD P15428 3/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL9740515 0.89 PSEN1 (0.42) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8811316 0.88 BACE1 (0.35) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8811078 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8809490 0.83 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8809156 0.82 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8808862 0.82 KMT2A (0.45) KDM4EALDH1A1HRH3
SCHEMBL8809060 0.81 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8809445 0.78 BACE1 (0.35) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8807376 0.76 PSEN1 (0.40) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL8809275 0.73 PSEN1 (0.36) PDE4APDE4BPDE4CPDE4DPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096914-A Hypotensive agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1992-03-17 — — US disclosed
US-5028711-A Hypotensive Agents BEIERSDORF AKTIENGESELLSCHAFT (DE) 1991-07-02 — — US disclosed
Send feedback