SCHEMBL8104717

SCHEMBL8104717

CCCn1cnc(CN(CC(=O)O)c2cccc(C#N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.40
KCNA5 P22460 1/20 0.40
CPB2 Q96IY4 7/20 0.39
CPB1 P15086 4/20 0.39
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MAOB P27338 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
GFER P55789 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
FFAR1 O14842 2/20 0.33
DRD2 P14416 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL8104710 0.88 FNTA (0.40) KCNN4KCNA5MAOBFFAR1FFAR4
SCHEMBL8118821 0.83 ALDH1A1 (0.40) GAAPOLB
SCHEMBL8120737 0.79 MAOB (0.35) KCNN4KCNA5MAOBEGLN1FFAR1
SCHEMBL3830265 0.78 KCNN4 (0.47) KCNN4KCNA5MAOBGFERFFAR1
SCHEMBL6982499 0.75 KCNN4 (0.54) KCNN4KCNA5MAOBGFERFFAR1
SCHEMBL8113743 0.74 FNTA (0.39) KCNN4KCNA5MAOBFFAR1FFAR4
SCHEMBL8120082 0.74 FFAR1 (0.45) KCNN4KCNA5MAOBGFERFFAR1
SCHEMBL6982511 0.73 CRHBP (0.52) KCNN4KCNA5MAOBFFAR1FFAR4
SCHEMBL8113210 0.72 ALDH1A1 (0.41) POLB
SCHEMBL8104244 0.71 THRB (0.40) POLB

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