SCHEMBL6986312

SCHEMBL6986312

COc1cc([N]CCCCN2CCN3CCCCC3C2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.44
KCNH2 Q12809 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
ABCB1 P08183 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
HTR7 P34969 1/20 0.39

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
SCHEMBL5841718 0.84 SLC29A1 (0.44) SIGMAR1KCNH2CHRM2CHRM4ABCB1
SCHEMBL6986781 0.84 SHMT2 (0.43) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL5841791 0.83 SLC29A1 (0.43) SIGMAR1
Hydrochloric Acid SCHEMBL5842747 0.83 SHMT2 (0.42) SIGMAR1KCNH2
SCHEMBL6985106 0.83 SIGMAR1 (0.43) SIGMAR1KCNH2CHRM2CHRM4ABCB1
SCHEMBL5841208 0.83 SHMT2 (0.44) SIGMAR1KCNH2CHRM2CHRM4ABCB1
SCHEMBL6985803 0.83 TDP1 (0.44) SIGMAR1KCNH2CHRM2CHRM4ABCB1
SCHEMBL6987338 0.83 KCNH2 (0.43) SIGMAR1KCNH2
SCHEMBL6984251 0.82 HTR7 (0.41) SIGMAR1KCNH2CHRM2CHRM4ABCB1
Hydrochloric Acid SCHEMBL5841820 0.82 SIGMAR1 (0.43) SIGMAR1KCNH2CHRM2CHRM4ABCB1

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
EP-1275647-B1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-12 EP claimed