SCHEMBL16625968

SCHEMBL16625968

CC(C)CCCN(C)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.45
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.33
LMNA P02545 1/20 0.33
EBP Q15125 2/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LSS P48449 3/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL16625956 0.93 PIK3CD (0.44) PIK3CDTSHRLMNAEBPCYP2D6
SCHEMBL11932513 0.91 PIK3CD (0.42) PIK3CDTSHRLMNAEBPCYP2D6
SCHEMBL11932511 0.90 PIK3CD (0.41) PIK3CDTSHRKDM4E
SCHEMBL22856343 0.89 PIK3CD (0.38) PIK3CDTSHR
SCHEMBL22848879 0.89 PIK3CD (0.38) PIK3CDTSHRKDM4E
SCHEMBL11932514 0.86 PIK3CD (0.67) PIK3CDTSHR
SCHEMBL4670473 0.86 PIK3CD (0.48) PIK3CDTSHRHTR2ACYP2D6CYP2C19
SCHEMBL22906407 0.86 PIK3CD (0.36) PIK3CDTSHRGAAHPGD
SCHEMBL24437808 0.84 PIK3CD (0.40) PIK3CDTSHRLMNAKDM4EKDM4C
SCHEMBL22507526 0.84 PIK3CD (0.40) PIK3CDTSHRLMNAKDM4EKDM4C

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
WO-2015050472-A1 FUSED INDOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed
WO-2015050471-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed