SCHEMBL19365513

SCHEMBL19365513

CCN1CC[C@@H](C)N(C(=O)Nc2ccccn2)c2nc(-c3cccc(OC[C@@H](O)CO)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 10/20 0.41
▸ WDR77 Q9BQA1 7/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ ADRB3 P13945 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 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
SCHEMBL19670156 0.91 PRMT5 (0.40) PRMT5WDR77SIRT2CARM1ADRB3
SCHEMBL16238381 0.83 PRMT5 (0.41) PRMT5WDR77SIRT2CARM1ADRB3
SCHEMBL16238383 0.83 PRMT5 (0.41) PRMT5WDR77SIRT2CARM1ADRB3
SCHEMBL16238378 0.83 PRMT5 (0.41) PRMT5WDR77SIRT2CARM1ADRB3
SCHEMBL19670575 0.83 EGFR (0.32) ALDH1A1ADORA2A
SCHEMBL19670234 0.81 FGFR4 (0.35) PRMT5WDR77CARM1ADRB3ADRB2
SCHEMBL19670122 0.81 GRM5 (0.34) —
SCHEMBL19670181 0.80 RAF1 (0.35) —
SCHEMBL19670160 0.80 PRMT5 (0.42) PRMT5WDR77SIRT2CARM1TSHR
SCHEMBL19670588 0.79 FGFR4 (0.38) PRMT5WDR77CARM1ADRB3TSHR

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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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