SCHEMBL19431925

SCHEMBL19431925

Cc1cc(C#N)ccc1-c1cnn2c1NCCC2

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 18/20 0.66
CYP11B1 P15538 14/20 0.66
EGLN2 Q96KS0 2/20 0.42

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
SCHEMBL19431913 0.80 CYP11B2 (1.00) CYP11B2CYP11B1EGLN2
SCHEMBL17523539 0.79 HTR7 (0.41) CYP11B2CYP11B1
SCHEMBL19432290 0.79 CYP11B2 (0.93) CYP11B2CYP11B1EGLN2
SCHEMBL19432162 0.78 CYP11B2 (0.66) CYP11B2CYP11B1EGLN2
SCHEMBL19431915 0.77 CYP11B2 (0.65) CYP11B2CYP11B1
SCHEMBL19431970 0.76 CYP11B2 (0.60) CYP11B2CYP11B1EGLN2
SCHEMBL19432026 0.75 CYP11B2 (0.70) CYP11B2CYP11B1EGLN2
SCHEMBL19432128 0.74 CYP11B2 (0.68) CYP11B2CYP11B1EGLN2
SCHEMBL19432027 0.72 CYP11B2 (0.70) CYP11B2CYP11B1
SCHEMBL7925552 0.71 MAPT (0.35) CYP11B2CYP11B1

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-2017170765-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-10-05 WO disclosed