SCHEMBL5884916

SCHEMBL5884916

CCON=Cc1ccc(OCCC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ABL1 P00519 1/20 0.42
CYP3A4 P08684 2/20 0.42
GPR119 Q8TDV5 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM4 P08173 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
SMO Q99835 1/20 0.38

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
SCHEMBL5884360 0.85 MAPT (0.36) GPR119TP53MAPTKMT2AL3MBTL1
SCHEMBL5884674 0.83 GPR119 (0.38) HPGDGPR119MAPTMEN1ALDH1A1
SCHEMBL5884736 0.83 SMN1; SMN2 (0.35) SMN1; SMN2GPR119MAPTKMT2AL3MBTL1
SCHEMBL5884333 0.83 KCNH2 (0.39) SMN1; SMN2HPGDGPR119MAPTMEN1
SCHEMBL5884689 0.83 KCNH2 (0.39) SMN1; SMN2HPGDGPR119MAPTMEN1
SCHEMBL5883827 0.81 KMT2A (0.40) SMN1; SMN2LMNAGPR119MAPTMEN1
SCHEMBL5885023 0.81 KCNH2 (0.37) SMN1; SMN2GPR119HRH3MAPTALDH1A1
SCHEMBL5884253 0.81 KMT2A (0.40) SMN1; SMN2LMNAGPR119MAPTMEN1
SCHEMBL5884628 0.80 GPR119 (0.37) SMN1; SMN2HPGDKDM4EGPR119MAPT
SCHEMBL5884209 0.80 KCNH2 (0.38) HPGDGPR119TP53MAPTMEN1

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