SCHEMBL6383533

SCHEMBL6383533

COc1cc2c(c(OC)c1OC)C(=O)C(Cc1ccncc1)C2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 5/20 0.57
▸ CYP19A1 P11511 7/20 0.57
▸ ACHE P22303 3/20 0.54
▸ ATM Q13315 1/20 0.46

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
SCHEMBL6380946 0.86 CYP19A1 (0.56) PDE4DCYP19A1ACHE
SCHEMBL6384704 0.83 CYP19A1 (0.67) PDE4DCYP19A1ACHE
SCHEMBL1114939 0.81 PDE4D (0.81) PDE4DCYP19A1ACHE
Hydrochloric Acid SCHEMBL2329428 0.80 ACHE (0.71) ACHE
SCHEMBL6384672 0.80 CYP19A1 (0.70) PDE4DCYP19A1ACHE
Bromide SCHEMBL2330791 0.78 ACHE (0.73) ACHE
SCHEMBL7961218 0.77 ACHE (0.62) ACHEATM
SCHEMBL6385559 0.74 CYP19A1 (0.73) PDE4DCYP19A1ACHE
SCHEMBL6378133 0.72 CYP19A1 (0.81) PDE4DCYP19A1ACHE
SCHEMBL6378154 0.72 CYP19A1 (1.00) PDE4DCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047674-B1 PROCESS FOR PRODUCTION OF DONEPEZIL DERIVATIVES EISAI CO LTD (JP) 2005-03-30 — — EP disclosed
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