SCHEMBL4649295

SCHEMBL4649295

CCC(c1ccccc1N)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SHBG P04278 1/20 0.38
IDO1 P14902 2/20 0.37
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
PMP22 Q01453 1/20 0.34
TSHR P16473 1/20 0.33
HDAC3 O15379 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
SCHEMBL27324001 0.80 KMT2A (0.42) PKMCTDSP1KDM4EMEN1KMT2A
SCHEMBL11335232 0.76 SLC6A2 (0.41) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2465315 0.75 PKM (0.62) PKMCTDSP1GAAMEN1KMT2A
SCHEMBL7368091 0.75 MAPT (0.46) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL27391812 0.73 PKM (0.59) PKMCTDSP1GAAMEN1KMT2A
Methyl Alcohol SCHEMBL27363776 0.70 PKM (0.56) PKMCTDSP1GAAMEN1KMT2A
SCHEMBL5280802 0.70 MAPT (0.41) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL26629764 0.69 PKM (0.55) PKMCTDSP1GAAMEN1KMT2A
SCHEMBL12901606 0.69 SIGMAR1 (0.32) ALDH1A1
SCHEMBL22961730 0.69 KCNA5 (0.44) PKMCTDSP1MAPTKDM4EMEN1

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
EP-1904047-A2 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-04-02 EP disclosed
WO-2007008627-A2 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2007-01-18 WO disclosed