SCHEMBL8104710

SCHEMBL8104710

Cn1cnc(CN(CC(=O)O)c2cccc(C#N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.40
FNTB P49356 8/20 0.40
KCNN4 O15554 1/20 0.38
KCNA5 P22460 1/20 0.38
EP300 Q09472 1/20 0.38
MAOB P27338 1/20 0.37
PGGT1B P53609 6/20 0.37
EGLN2 Q96KS0 1/20 0.36
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MEP1A Q16819 1/20 0.35
MEP1B Q16820 1/20 0.35
CSF1R P07333 1/20 0.35
ACACB O00763 1/20 0.35
ELANE P08246 1/20 0.34

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
SCHEMBL8104717 0.88 KCNN4 (0.40) FNTAFNTBKCNN4KCNA5MAOB
SCHEMBL8113743 0.85 FNTA (0.39) FNTAFNTBKCNN4KCNA5EP300
SCHEMBL8120737 0.82 MAOB (0.35) FNTAFNTBKCNN4KCNA5MAOB
SCHEMBL8113210 0.81 ALDH1A1 (0.41) EP300
SCHEMBL3830265 0.78 KCNN4 (0.47) KCNN4KCNA5MAOBFFAR1FFAR4
SCHEMBL6982511 0.76 CRHBP (0.52) KCNN4KCNA5MAOBFFAR1FFAR4
SCHEMBL8120082 0.75 FFAR1 (0.45) KCNN4KCNA5MAOBFFAR1FFAR4
SCHEMBL6982499 0.74 KCNN4 (0.54) KCNN4KCNA5MAOBFFAR1FFAR4
SCHEMBL8104391 0.74 MAOB (0.34) FNTAFNTBKCNN4KCNA5MAOB
SCHEMBL8104607 0.71 RORC (0.36) FNTAFNTBMAOBFFAR1FFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1268116-A 3-amidinoaniline derivatives activated blood coagulation factor X inhibitors, and intermediates for producing both KISSEI PHARMACEUTICAL (JP) 2000-09-27 CN disclosed
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