SCHEMBL9753832

SCHEMBL9753832

COc1ccccc1CNC1CCCN(CCCCCc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57
SIGMAR1 Q99720 3/20 0.56
BCHE P06276 3/20 0.54
ACHE P22303 3/20 0.54
BACE1 P56817 2/20 0.54
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRM2 P08172 2/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL9294215 0.77 TACR1 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL9294424 0.77 TACR1 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL9294717 0.77 TACR1 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL9294712 0.77 TACR1 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL9294213 0.77 TACR1 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL9294212 0.77 TACR1 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL9294721 0.77 TACR1 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL9294438 0.77 TACR1 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL9294428 0.77 TACR1 (0.65) MEN1POLBKMT2ASIGMAR1HRH3
SCHEMBL3692137 0.73 MEN1 (0.49) MEN1POLBKMT2ASIGMAR1BCHE

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-1991009844-A1 SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1991-07-11 WO disclosed