SCHEMBL28098574

SCHEMBL28098574

O=C(O)N1CCC(=Cc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.51
BACE1 P56817 2/20 0.51
PTPN1 P18031 5/20 0.50
NR1H4 Q96RI1 2/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
HDAC2 Q92769 1/20 0.49
AKR1B1 P15121 2/20 0.48
SRD5A1 P18405 1/20 0.48
PPARG P37231 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL15441571 0.85 YAP1 (0.52) GSK3BBACE1PTPN1NR1H4HPGD
SCHEMBL13280881 0.80 PRMT5 (0.49) GSK3BBACE1PTPN1HPGDPOLB
SCHEMBL13278903 0.77 PTPN1 (0.56) GSK3BBACE1PTPN1NR1H4HPGD
SCHEMBL10547399 0.77 MAOB (0.52) GSK3BBACE1PTPN1NR1H4HPGD
SCHEMBL14720576 0.76 SRD5A1 (0.52) HPGDHDAC2SRD5A1
SCHEMBL14722165 0.75 SRD5A1 (0.51) HDAC2SRD5A1
SCHEMBL14720706 0.75 SRD5A1 (0.51) HDAC2SRD5A1
SCHEMBL16874748 0.74 PRMT5 (0.56) HPGDMAOBNR4A1NR4A2NR4A3
SCHEMBL22683282 0.74 SRD5A1 (0.50) HDAC2SRD5A1
SCHEMBL12813411 0.74 TP53 (0.51) POLBNR4A1NR4A2NR4A3NPC1

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
CN-103596960-B 6, 7-dihydroimidazo [2,1-B ] [1,3] oxazine fungicides 大塚制药株式会社 2016-11-16 CN disclosed
CN-103596960-A 6, 7-dihydroimidazo [2,1-B ] [1,3] oxazine fungicides OTSUKA PHARMA CO LTD 2014-02-19 CN disclosed