SCHEMBL5884860

SCHEMBL5884860

C=CCON=Cc1ccc(OCCCC2CCCN(c3ccc(C)nn3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
HRH3 Q9Y5N1 1/20 0.32
KCNH2 Q12809 2/20 0.32
MAP4K4 O95819 1/20 0.32
HPGD P15428 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
BTK Q06187 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL5884514 0.90 NR1I2 (0.35) NR1I2HRH3KCNH2HPGDL3MBTL1
SCHEMBL5884627 0.90 L3MBTL1 (0.33) NR1I2MAP4K4BTKL3MBTL1
SCHEMBL5884927 0.90 CHRNB2 (0.34) HRH3MAP4K4HPGDBTKL3MBTL1
SCHEMBL5884551 0.88 HRH3 (0.33) HRH3HPGDIDH1
SCHEMBL5884831 0.86 TEAD1 (0.36) NR1I2KCNH2HPGDL3MBTL1GPR119
SCHEMBL5884797 0.85 CHRNB2 (0.35) MAP4K4HPGDBTKL3MBTL1IDH1
SCHEMBL5884760 0.83 KCNH2 (0.36) HRH3KCNH2MAP4K4HPGDL3MBTL1
SCHEMBL5883881 0.82 L3MBTL1 (0.34) NR1I2KCNH2MAP4K4L3MBTL1
SCHEMBL5884353 0.82 KCNH2 (0.39) NR1I2HRH3KCNH2HPGDL3MBTL1
SCHEMBL5884712 0.81 LMNA (0.36) HRH3HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed