SCHEMBL8807376

SCHEMBL8807376

CN1CCN(C2=CC(C)(C)Oc3ccc(OC(F)(F)F)cc32)C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ ABL1 P00519 4/20 0.40
▸ LRRK2 Q5S007 1/20 0.35
▸ CES1 P23141 1/20 0.34
▸ CHRM5 P08912 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ CCR6 P51684 4/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL8811316 0.88 BACE1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9740515 0.87 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8807651 0.85 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8808216 0.84 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8811509 0.84 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8809478 0.83 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8807432 0.83 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8809554 0.82 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL8808919 0.81 ALDH1A1 (0.34) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL8810791 0.80 PDE4A (0.31) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350805-B1 Benzopyran derivatives, processes for their preparation and their use and preparations containing the compounds BEIERSDORF LILLY GMBH (DE) 1997-04-16 — — EP disclosed
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