SCHEMBL9986408

SCHEMBL9986408

CCOc1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
NR1I2 O75469 1/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
CACNA2D1 P54289 3/20 0.39
NFE2L2 Q16236 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SCD O00767 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37

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
Pirodavir SCHEMBL146440 0.87 HRH3 (0.46) GPR119NR1I2MAPTKDM4EALDH1A1
SCHEMBL7486949 0.86 GPR119 (0.40) GPR119NR1I2MAPTALDH1A1SMN1; SMN2
SCHEMBL5884689 0.85 KCNH2 (0.39) GPR119NR1I2MAPTALDH1A1SMN1; SMN2
SCHEMBL13021438 0.85 PPARG (0.39) GPR119NR1I2MAPTKDM4EALDH1A1
SCHEMBL5884333 0.85 KCNH2 (0.39) GPR119NR1I2MAPTALDH1A1SMN1; SMN2
SCHEMBL1419892 0.85 GPR119 (0.43) GPR119NR1I2TP53MEN1KMT2A
SCHEMBL5883991 0.84 GPR119 (0.38) GPR119NR1I2MAPTKDM4EALDH1A1
SCHEMBL1666187 0.82 CYP1A2 (0.39) GPR119RAB9A
SCHEMBL10327457 0.82 ENPP1 (0.41) GPR119KDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL1664257 0.82 PPARG (0.37) GPR119NR1I2MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585067-A1 COMPOUND FOR THE TREATMENT OF ENTEROVIRUSES Biota Scientific Management Pty Ltd (AU) 2013-05-01 EP disclosed
CN-102844032-A Compounds for the treatment of respiratory conditions or diseases BIOTA SCIENT MAN 2012-12-26 CN disclosed
WO-2011160191-A1 COMPOUND FOR THE TREATMENT OF ENTEROVIRUSES BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-29 WO disclosed