SCHEMBL8104610

SCHEMBL8104610

CC(C)(C)OC(=O)C(c1c[nH]cn1)N(CC(=O)OCc1ccccc1)c1cccc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ABCB1 P08183 3/20 0.35
GAA P10253 1/20 0.35
RORC P51449 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL8120742 0.89 MAOB (0.36) ABCB1MAOBFFAR1FFAR4
SCHEMBL8113746 0.87 MAOB (0.39) MAOBFFAR1FFAR4
SCHEMBL8104627 0.85 POLB (0.38) POLBGAAMEN1KMT2A
SCHEMBL8104039 0.80 RAB9A (0.35) RORCMEN1KMT2A
SCHEMBL8114528 0.75 FFAR1 (0.38) MAOBMEN1KMT2AFFAR1FFAR4
SCHEMBL8104395 0.73 MAOB (0.35) POLBABCB1MAOBFFAR1FFAR4
SCHEMBL8104713 0.72 MAOB (0.40) MAOBFFAR1FFAR4
SCHEMBL8104718 0.69 KCNN4 (0.37) MAOBFFAR1FFAR4
SCHEMBL8104607 0.69 RORC (0.36) ABCB1RORCMAOBMEN1KMT2A
SCHEMBL8112930 0.69 ALDH1A1 (0.35) RORCMEN1KMT2A

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-1020434-A1 3-AMIDINOANILINE DERIVATIVES, ACTIVATED BLOOD COAGULATION FACTOR X INHIBITORS, AND INTERMEDIATES FOR PRODUCING BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2000-07-19 EP disclosed