SCHEMBL17207691

SCHEMBL17207691

O=C(CN1CCN(c2nncc(-c3ccc(C(F)(F)F)cc3)n2)CC1)NC1C[C@H]2COC[C@H](C1)C2

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 20/20 0.83

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
SCHEMBL17207690 0.91 CYP11B2 (1.00) CYP11B2
SCHEMBL18489919 0.86 CYP11B2 (1.00) CYP11B2
SCHEMBL18489918 0.86 CYP11B2 (1.00) CYP11B2
SCHEMBL17207663 0.85 CYP11B2 (0.73) CYP11B2
SCHEMBL18508518 0.80 CYP11B2 (0.71) CYP11B2
SCHEMBL17207657 0.79 CYP11B2 (0.73) CYP11B2
SCHEMBL18489925 0.79 CYP11B2 (0.84) CYP11B2
SCHEMBL18489926 0.79 CYP11B2 (0.84) CYP11B2
SCHEMBL18489977 0.78 CYP11B2 (0.71) CYP11B2
SCHEMBL18489978 0.78 CYP11B2 (0.71) CYP11B2

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-2015163427-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND 田辺三菱製薬株式会社 2015-10-29 — — WO disclosed
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