SCHEMBL7318910

SCHEMBL7318910

CCCCCCN(C/C=C/c1ccc(C2CCCCC2)c(Cl)c1)CCCCCC

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
TMEM97 Q5BJF2 1/20 0.64
EBP Q15125 1/20 0.64
KCNH2 Q12809 10/20 0.52
BCHE P06276 2/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
ICMT O60725 1/20 0.32
ALB P02768 1/20 0.32
ACHE P22303 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
SCHEMBL7325149 1.00 SIGMAR1 (0.64) SIGMAR1TMEM97EBPKCNH2BCHE
SCHEMBL11634254 0.86 SIGMAR1 (0.76) SIGMAR1TMEM97EBPKCNH2KDM4E
SCHEMBL8328268 0.86 SIGMAR1 (0.76) SIGMAR1TMEM97EBPKCNH2KDM4E
SCHEMBL11633441 0.81 SIGMAR1 (0.72) SIGMAR1TMEM97EBPKDM4E
SCHEMBL11631505 0.81 SIGMAR1 (0.72) SIGMAR1TMEM97EBPKDM4E
SCHEMBL6648742 0.78 SIGMAR1 (1.00) SIGMAR1TMEM97EBPKCNH2KDM4E
SCHEMBL6648743 0.78 SIGMAR1 (1.00) SIGMAR1TMEM97EBPKCNH2KDM4E
SCHEMBL6652640 0.78 SIGMAR1 (1.00) SIGMAR1TMEM97EBPKCNH2KDM4E
SCHEMBL26765558 0.78 SIGMAR1 (0.74) SIGMAR1TMEM97EBPKDM4E
SCHEMBL26765850 0.77 SIGMAR1 (0.78) SIGMAR1TMEM97EBPKDM4E

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
US-6235791-B1 USING CIS N-CYCLOHEXYL-N-ETHYL(3-(3-CHLORO-CYCLOHEXYLPHENYL)ALLYL)AMINE SANOFI-SYNTHELABO (FR) 2001-05-22 US disclosed
EP-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 EP disclosed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 WO disclosed