SCHEMBL5716042

SCHEMBL5716042

CCCCCCCCCN(CC)c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
ICMT O60725 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 3/20 0.36
SOAT1 P35610 1/20 0.36
CRHR1 P34998 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
GHSR Q92847 1/20 0.34
ALB P02768 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
SCHEMBL5716181 0.92 SOAT1 (0.36) CNR2ICMTKDM4ESOAT1PSEN1
SCHEMBL5716308 0.90 SOAT1 (0.36) CNR2ICMTKDM4ESOAT1CRHR1
SCHEMBL6796976 0.90 SOAT1 (0.36) CNR2ICMTKDM4ESOAT1CRHR1
SCHEMBL5715762 0.89 SOAT1 (0.35) CNR2ICMTKDM4ESOAT1PSEN1
SCHEMBL5715939 0.87 CNR2 (0.40) CNR2ICMTKDM4ETDP1SOAT1
SCHEMBL5716593 0.86 PSEN1 (0.37) KDM4ETDP1CRHR1PSEN1PSEN2
SCHEMBL5715698 0.86 PSEN1 (0.37) TDP1CRHR1PSEN1PSEN2APH1B
SCHEMBL5716584 0.82 GPR84 (0.39) ICMTSOAT1PSEN1PSEN2APH1B
SCHEMBL5716301 0.81 LMNA (0.34) CNR2SOAT1PSEN1PSEN2APH1B
SCHEMBL5715845 0.80 SOAT1 (0.39) CNR2ICMTSOAT1GHSRALB

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-1661900-A1 Olefin polymerization cocatalysts derived from group-15 cationic compounds and processes using them ExxonMobil Chemical Patents Inc. (US) 2006-05-31 EP disclosed
EP-1252166-B1 OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM EXXONMOBIL CHEM PATENTS INC (US) 2005-11-09 EP disclosed