SCHEMBL11368483

SCHEMBL11368483

CCOC(=O)N1C2CCC1c1cc(=O)[nH]nc1C2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR65 Q8IYL9 1/20 0.34
GRM5 P41594 1/20 0.33
CHRM1 P11229 7/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11362297 0.94 ALDH1A1 (0.35) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL11360559 0.79 CHRM1 (0.36) GPR65GRM5CHRM1ALDH1A1MEN1
SCHEMBL8221697 0.74 GPR65 (0.48) GPR65GRM5CHRM1CHRM4CHRM5
SCHEMBL11360096 0.73 POLB (0.34) GRM5CHRM1ALDH1A1MEN1GAA
SCHEMBL7985907 0.72 L3MBTL1 (0.38) GPR65CHRM1ALDH1A1MEN1GAA
SCHEMBL11354670 0.72 ALDH1A1 (0.32) GRM5CHRM1ALDH1A1MEN1GAA
SCHEMBL11358064 0.72 CHRM1 (0.32) GPR65GRM5CHRM1MEN1MAPT
SCHEMBL884784 0.70 CHRM1 (0.42) GRM5CHRM1ALDH1A1MEN1KMT2A
SCHEMBL20425643 0.70 OPRM1 (0.40) GRM5CHRM1ALDH1A1MEN1KMT2A
SCHEMBL2062840 0.70 GRM5 (0.37) GRM5CHRM1MEN1GAAKMT2A

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-4277472-A 3,6-Disubstituted-5,7-(lower alkano)-5,6,7,8-tetrahydropyrido(4,3-C)pyridazines; their intermediates, preparation, antihypertensive use and compositions BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-07-07 US disclosed