SCHEMBL9740494

SCHEMBL9740494

COc1cc2c(cc1OC)CC(=O)N(C(C)C1CCCCN1CCCOc1cc(Br)c(N)c(Br)c1)CC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ACHE P22303 3/20 0.35
BCHE P06276 2/20 0.35
ABCB1 P08183 4/20 0.34
HCN4 Q9Y3Q4 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ABCC1 P33527 1/20 0.33
MAPT P10636 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL9739500 0.82 HCN4 (0.41) SMN1; SMN2GAAABCB1HCN4CHRM2
SCHEMBL9739396 0.81 MAOA (0.35) KCNH2HRH3MAOAMAOB
SCHEMBL9740238 0.81 ABCB1 (0.42) SMN1; SMN2GAAACHEBCHEABCB1
Hydrochloric Acid SCHEMBL9740197 0.80 CYP3A4 (0.42) SMN1; SMN2GAAACHEBCHEABCB1
SCHEMBL9739180 0.80 SMN1; SMN2 (0.43) SMN1; SMN2GAAABCB1HCN4DRD3
SCHEMBL9740418 0.79 ABCB1 (0.46) SMN1; SMN2GAAABCB1HCN4HRH3
Hydrochloric Acid SCHEMBL9740153 0.78 ABCB1 (0.45) SMN1; SMN2GAAABCB1HCN4HRH3
SCHEMBL9739027 0.78 SMN1; SMN2 (0.42) SMN1; SMN2GAAHCN4CHRM2HTR1A
SCHEMBL9740219 0.78 HCN4 (0.49) SMN1; SMN2GAAHCN4MAPTCYP3A4
SCHEMBL9739355 0.78 SMN1; SMN2 (0.42) SMN1; SMN2GAAHTR1ADRD3

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed