SCHEMBL4438699

SCHEMBL4438699

O=C1COC[C@@H](CCOCc2ccccc2)N1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 2/20 0.37
PDE4D Q08499 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CYP3A4 P08684 3/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
AGTR2 P50052 1/20 0.34
MGLL Q99685 1/20 0.34
KCNA3 P22001 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNA1 Q09470 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
SCHEMBL3408705 0.91 LMNA (0.40) LMNATAAR1MEN1KMT2AALDH1A1
SCHEMBL3405865 0.91 LMNA (0.40) LMNATAAR1MEN1KMT2AALDH1A1
SCHEMBL1564436 0.86 LMNA (0.48) LMNATAAR1TSHRCYP2C19BCHE
SCHEMBL17824072 0.86 LMNA (0.48) LMNATAAR1TSHRCYP2C19BCHE
SCHEMBL2347159 0.86 LMNA (0.48) LMNATAAR1TSHRCYP2C19BCHE
SCHEMBL1193827 0.81 FASN (0.42) TAAR1CYP3A4
SCHEMBL9660776 0.80 TSHR (0.44) LMNATSHRPDE4DMEN1KMT2A
SCHEMBL10582642 0.80 TSHR (0.44) LMNATSHRPDE4DMEN1KMT2A
SCHEMBL25251528 0.80 ALDH1A1 (0.42) LMNAMEN1KMT2AALDH1A1MGLL
SCHEMBL21565332 0.79 CTSD (0.40) LMNATSHRALDH1A1CYP2C19BCHE

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
EP-2125829-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008108378-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-12 WO disclosed