SCHEMBL3700649

SCHEMBL3700649

C(CCNCCCCN=C1CCCC1)CN=C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
ABHD16A O95870 1/20 0.34
KMT2A Q03164 1/20 0.34
PLA2G7 Q13093 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
DAGLB Q8NCG7 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34

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
SCHEMBL991855 0.83 TSHR (0.35) MEN1FAAHABHD16AKMT2APLA2G7
SCHEMBL991642 0.83 TSHR (0.35) MEN1FAAHABHD16AKMT2APLA2G7
SCHEMBL990940 0.80 TSHR (0.39) MEN1FAAHABHD16AKMT2APLA2G7
SCHEMBL991643 0.80 TSHR (0.39) MEN1FAAHABHD16AKMT2APLA2G7
SCHEMBL20374823 0.75
SCHEMBL13322031 0.74
SCHEMBL28494118 0.73 NFKB1 (0.34)
SCHEMBL8211585 0.73
SCHEMBL14196487 0.71 LMNA (0.32) MEN1KMT2A
SCHEMBL21268804 0.71 DHPS (0.37)

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
WO-2010101560-A1 BIS[(ALKYLAMINO)ALKYL]AMINES ALBEMARLE CORPORATION (US) 2010-09-10 WO disclosed