SCHEMBL8104607

SCHEMBL8104607

CC(C)(C)OC(=O)n1cnc(CN(CC(=O)OCc2ccccc2)c2cccc(C#N)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
ABCB1 P08183 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
MAOB P27338 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 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
SCHEMBL8120737 0.88 MAOB (0.35) ABCB1FFAR1FFAR4SLC16A3SLC16A1
SCHEMBL8113743 0.86 FNTA (0.39) FFAR1FFAR4MAOBFNTAFNTB
SCHEMBL8104624 0.85 RORC (0.36) RORCABCB1MEN1KMT2AALDH1A1
SCHEMBL8104036 0.78 MCHR1 (0.38) RORCALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8104401 0.77 MCHR1 (0.38) RORCKMT2AALDH1A1LMNAHTT
SCHEMBL8114528 0.77 FFAR1 (0.38) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8104391 0.72 MAOB (0.34) ABCB1FFAR1FFAR4MAOBFNTA
SCHEMBL8104710 0.71 FNTA (0.40) FFAR1FFAR4MAOBFNTAFNTB
SCHEMBL8114479 0.70 TSPO (0.48) KMT2AFFAR1FFAR4MAOB
SCHEMBL30194819 0.69 FFAR1 (0.48) FFAR1FFAR4MAOBALKBH1GPR119

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