SCHEMBL5884332

SCHEMBL5884332

CON=Cc1ccc(OCCC2CCN(c3cncc(Cl)n3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR119 Q8TDV5 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL5884262 0.86 GPR119 (0.37) KMT2AALDH1A1CYP3A4HPGDGPR119
SCHEMBL5884268 0.84 MEN1 (0.43) KMT2AALDH1A1MEN1CYP1A2GPR119
SCHEMBL5884362 0.80 NR1I2 (0.38) HPGDGPR119L3MBTL1GAATEAD1
SCHEMBL5884759 0.80 MEN1 (0.43) KMT2AALDH1A1MEN1CYP1A2L3MBTL1
SCHEMBL5884624 0.79 GPR119 (0.44) GPR119GAA
SCHEMBL5884475 0.79 TDP1 (0.41) ALDH1A1KDM4ECYP1A2CYP2C19L3MBTL1
SCHEMBL5884674 0.79 GPR119 (0.38) KMT2AALDH1A1MEN1HPGDGPR119
SCHEMBL5884253 0.77 KMT2A (0.40) KMT2AALDH1A1MEN1CYP1A2GPR119
SCHEMBL5883827 0.77 KMT2A (0.40) KMT2AALDH1A1MEN1CYP1A2GPR119
SCHEMBL5884598 0.77 KCNH2 (0.36) KMT2AALDH1A1MEN1HPGDGPR119

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