SCHEMBL2365541

SCHEMBL2365541

O=C(O)N1CCC(CCOc2ccccc2N2CCOCC2)CC1Cc1nccs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 4/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2365446 0.85 POLB (0.38) GAAKMT2ANPSR1POLBMAPT
SCHEMBL2365409 0.84 POLB (0.38) GAAKMT2ANPSR1POLBMAPT
SCHEMBL2365542 0.79 GRIN2B (0.45) GAAKMT2ANPSR1POLBMAPT
SCHEMBL2363554 0.79 HTR7 (0.36) MAPTALDH1A1KDM4E
SCHEMBL2363548 0.79 KDM4E (0.43) NPSR1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2365577 0.76 HRH2 (0.37) KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL2365494 0.76 ACKR3 (0.45)
SCHEMBL2364770 0.75 GPR119 (0.41)
SCHEMBL2365569 0.74 KCNA5 (0.36) KMT2AMEN1USP2
SCHEMBL2365345 0.69 ALDH1A1 (0.37) KMT2ANPSR1MEN1ALDH1A1SMN1; SMN2

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