SCHEMBL18714964

SCHEMBL18714964

CNCC1CCN(NC)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CARM1 Q86X55 2/20 0.34
PRMT6 Q96LA8 2/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
CXCR4 P61073 1/20 0.30
NCF1 P14598 1/20 0.30

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
SCHEMBL17889254 0.78 CHRM3 (0.31) NCF1
Hydrochloric Acid SCHEMBL23212665 0.76
SCHEMBL22519229 0.76 L3MBTL1 (0.41) L3MBTL1CARM1PRMT6ROCK2ROCK1
SCHEMBL22475301 0.76 ALOX5 (0.34) NCF1
SCHEMBL18155993 0.76 L3MBTL1 (0.41) L3MBTL1CARM1PRMT6ROCK2ROCK1
SCHEMBL273581 0.76
SCHEMBL13165399 0.76 SAT1 (0.39) L3MBTL1
SCHEMBL6019205 0.76 SAT1 (0.39) L3MBTL1
SCHEMBL1268659 0.74 CYP1A2 (0.33) CARM1PRMT6
SCHEMBL3425370 0.74 L3MBTL1 (0.40) L3MBTL1CARM1PRMT6ROCK2ROCK1

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
EP-2961741-B1 NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES FUND PARA LA INVESTIG MEDICA APLICADA (ES) 2017-04-05 EP disclosed