SCHEMBL2365446

SCHEMBL2365446

O=C(O)N1CCC(CCOc2ccccc2N2CCOCC2)CC1Cc1cncs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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

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
SCHEMBL2365541 0.85 GAA (0.39) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL2365409 0.85 POLB (0.38) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL2365345 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL2365327 0.80 KDM4E (0.40) ALDH1A1RAB9ANPSR1SMN1; SMN2KDM4E
SCHEMBL2365447 0.79 POLB (0.39) POLBMAPTGAAKMT2AMEN1
SCHEMBL2365374 0.77 TEAD1 (0.35) KMT2AMEN1
SCHEMBL2363075 0.76 S1PR5 (0.40) L3MBTL1TSHR
SCHEMBL2365536 0.76 LIPE (0.36) SCN5ASCN9A
SCHEMBL2365423 0.76 LTA4H (0.35) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL2365528 0.75 FFAR1 (0.36) ALDH1A1PRMT5ATMTSHR

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