SCHEMBL2365409

SCHEMBL2365409

O=C(O)N1CCC(CCOc2ccccc2N2CCOCC2)CC1Cc1cscn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 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
SCHEMBL2365446 0.85 POLB (0.38) POLBMAPTKMT2ARAB9AMEN1
SCHEMBL2365541 0.84 GAA (0.39) POLBMAPTKMT2ARAB9AMEN1
SCHEMBL2365410 0.79 ALDH1A1 (0.41) POLBMAPTKMT2ARAB9AMEN1
SCHEMBL2365496 0.76 TEAD1 (0.36) POLBKMT2AMEN1KDM4E
SCHEMBL2363761 0.75 S1PR5 (0.41) L3MBTL1TSHR
SCHEMBL2365457 0.75 LIPE (0.36) SCN5ASCN9A
SCHEMBL2365562 0.74 FFAR1 (0.37) ALDH1A1PRMT5KDM4E
SCHEMBL2365539 0.74 TEAD1 (0.32) KMT2AMEN1
SCHEMBL2365258 0.73 ACKR3 (0.42)
SCHEMBL2365345 0.69 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO claimed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO disclosed