SCHEMBL13330711

SCHEMBL13330711

NC1(Cc2ccc(F)cc2)CCN(C(=O)C2CNc3cc(Cl)c(N4CCCC4)cc3O2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.34
AKT2 P31751 2/20 0.34
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TARDBP Q13148 1/20 0.32
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL13331447 0.98 AKT2 (0.34) PREPAKT2GAAPOLBRAB9A
SCHEMBL3354647 0.88 ALDH1A1 (0.36) PREPGAAPOLBRAB9ANPC1
SCHEMBL13330902 0.87 CYP19A1 (0.33) AKT2TARDBP
SCHEMBL3353086 0.86 ALDH1A1 (0.36) PREPGAAPOLBRAB9AL3MBTL1
SCHEMBL13331642 0.85 PSEN1 (0.36) AKT2L3MBTL1
SCHEMBL3354290 0.82 NPC1 (0.37) GAAPOLBRAB9ANPC1CASP1
SCHEMBL13330872 0.80 PREP (0.33) PREPAKT2
SCHEMBL13330957 0.79 RAB9A (0.34) PREPRAB9A
SCHEMBL3353515 0.78 ALDH1A1 (0.38) PREPPOLBL3MBTL1
SCHEMBL3355879 0.78 ALDH1A1 (0.36) GAAPOLBL3MBTL1

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