SCHEMBL13330962

SCHEMBL13330962

CN(C)c1cc2c(cc1Cl)N(C#N)CC(C(=O)N1CCC(N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
AIMP2 Q13155 1/20 0.32
CYP3A4 P08684 1/20 0.31
MC4R P32245 1/20 0.30
MTNR1B P49286 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
SCHEMBL3355372 0.92 ALDH1A1 (0.35) L3MBTL1AIMP2MC4RMTNR1B
SCHEMBL13330866 0.89 CYP3A4 (0.32) L3MBTL1AIMP2CYP3A4
SCHEMBL13330843 0.88 RAB9A (0.33) AIMP2CYP3A4
SCHEMBL3354707 0.81 ALDH1A1 (0.34) AIMP2
SCHEMBL3359075 0.81 ALDH1A1 (0.33) CYP3A4
SCHEMBL3355341 0.80 ALDH1A1 (0.34) MC4RMTNR1B
SCHEMBL3359004 0.80 POLB (0.38) L3MBTL1CYP3A4
SCHEMBL3353011 0.80 LMNA (0.34) L3MBTL1AIMP2MC4RMTNR1B
SCHEMBL3358333 0.80 ALDH1A1 (0.33) MC4RMTNR1B
SCHEMBL3352265 0.80 ALDH1A1 (0.33)

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-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed