SCHEMBL8104713

SCHEMBL8104713

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
FFAR1 O14842 3/20 0.35
KCNN4 O15554 1/20 0.35
KCNA5 P22460 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
S1PR1 P21453 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
GRK6 P43250 1/20 0.33
PIN1 Q13526 1/20 0.33
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEP1A Q16819 1/20 0.32

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
SCHEMBL8104718 0.86 KCNN4 (0.37) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL8113746 0.86 MAOB (0.39) MAOBFFAR1FFAR4SLC6A2SLC6A4
SCHEMBL8113212 0.83 MAPT (0.38) LMNAMAPT
SCHEMBL8120742 0.83 MAOB (0.36) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL6979204 0.75 MAOB (0.46) MAOBFFAR1KCNN4KCNA5FFAR4
SCHEMBL8118826 0.72 MAPT (0.38) LMNAMAPT
SCHEMBL8104610 0.72 POLB (0.35) MAOBFFAR1FFAR4
SCHEMBL8104245 0.70 RORC (0.38) LMNAMAPT
SCHEMBL8104039 0.70 RAB9A (0.35) LMNAMAPT
SCHEMBL7057421 0.70 FFAR1 (0.47) MAOBFFAR1KCNN4KCNA5FFAR4

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