SCHEMBL19670156

SCHEMBL19670156

C[C@@H]1CCN(C)c2ccc(-c3cccc(OC[C@@H](O)CO)c3)nc2N1C(=O)Nc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 12/20 0.40
▸ WDR77 Q9BQA1 9/20 0.40
▸ CARM1 Q86X55 1/20 0.36
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL19365513 0.91 PRMT5 (0.41) PRMT5WDR77CARM1DGAT2SIRT2
SCHEMBL19670234 0.89 FGFR4 (0.35) PRMT5WDR77CARM1ADRB2ADRB1
SCHEMBL19670588 0.87 FGFR4 (0.38) PRMT5WDR77CARM1ADRB2ADRB1
SCHEMBL19670160 0.87 PRMT5 (0.42) PRMT5WDR77CARM1SIRT2CYP1A2
SCHEMBL19670379 0.85 PRMT5 (0.37) PRMT5WDR77CARM1DYRK1ACYP1A2
SCHEMBL19670150 0.85 IRAK4 (0.40) GSK3BCYP1A2
SCHEMBL16238378 0.85 PRMT5 (0.41) PRMT5WDR77CARM1SIRT2ADRB2
SCHEMBL16238381 0.85 PRMT5 (0.41) PRMT5WDR77CARM1SIRT2ADRB2
SCHEMBL16238383 0.85 PRMT5 (0.41) PRMT5WDR77CARM1SIRT2ADRB2
SCHEMBL19365317 0.84 GSK3B (0.39) GSK3BDYRK1ASIRT2

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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