SCHEMBL20730052

SCHEMBL20730052

O=C(O)C1(OCCCCCCCCCOc2ccc(-c3ccn[nH]3)nc2)CCCOCC1

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 20/20 0.92
▸ CYP4A11 Q02928 20/20 0.92

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
SCHEMBL22070793 0.96 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL23309147 0.92 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22098235 0.92 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL23309459 0.90 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22098573 0.87 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL23309204 0.85 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL20730102 0.84 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22070803 0.83 CYP4F2 (0.76) CYP4F2CYP4A11
SCHEMBL23309466 0.81 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL23309504 0.81 CYP4F2 (1.00) CYP4F2CYP4A11

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
WO-2019031618-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE 大正製薬株式会社 2019-02-14 — — WO disclosed
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