SCHEMBL9741685

SCHEMBL9741685

COc1cc2c(cc1OC)CC(=O)N(CC1CCCN(CC[S+]([O-])c3cc(Br)c(N)c(Br)c3)C1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
HCN4 Q9Y3Q4 3/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
ADRA1B P35368 1/20 0.32
ACHE P22303 1/20 0.31
HTR4 Q13639 1/20 0.31
RAB9A P51151 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL9740144 0.85 HCN4 (0.40) SMN1; SMN2GAAHCN4CHRM2HTR1A
Hydrochloric Acid SCHEMBL9740807 0.84 HCN4 (0.39) SMN1; SMN2GAAHCN4CHRM2HTR1A
SCHEMBL9739448 0.84 SMN1; SMN2 (0.39) SMN1; SMN2GAAHCN4CHRM2HTR1A
SCHEMBL9742929 0.83 SMN1; SMN2 (0.38) SMN1; SMN2GAAHCN4CHRM2HTR1A
SCHEMBL9740863 0.82 HRH3 (0.41) SMN1; SMN2GAAHCN4CHRM2HTR1A
SCHEMBL9739539 0.82 HCN4 (0.43) SMN1; SMN2GAAHCN4CHRM2HTR1A
Hydrochloric Acid SCHEMBL9740703 0.82 HRH3 (0.41) SMN1; SMN2GAAHCN4CHRM2HTR1A
SCHEMBL9740542 0.80 GAA (0.42) SMN1; SMN2GAAHCN4CHRM2HTR1A
SCHEMBL10719224 0.79 HCN4 (0.41) SMN1; SMN2GAAHCN4CHRM2HTR1A
Hydrochloric Acid SCHEMBL9741326 0.79 GAA (0.44) SMN1; SMN2GAAHCN4CHRM2HTR1A

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 EP disclosed