SCHEMBL8329545

SCHEMBL8329545

CNC(NCC1CCCN(Cc2ccc(Cl)c(Cl)c2)C1)=C(C#N)C#N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 11/20 0.53
EPHX2 P34913 1/20 0.45
DRD4 P21917 1/20 0.45
POLB P06746 3/20 0.44
KMT2A Q03164 2/20 0.44
CCR2 P41597 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL8326146 0.90 TP53 (0.48) POLBKMT2ACCR2ALDH1A1GAA
SCHEMBL8326334 0.87 KMT2A (0.56) CCR3POLBKMT2AALDH1A1GAA
SCHEMBL8327677 0.85 POLB (0.54) POLBKMT2AALDH1A1GAAMEN1
SCHEMBL8324364 0.85 KMT2A (0.42) CCR3POLBKMT2AALDH1A1GAA
SCHEMBL8329014 0.85 POLB (0.61) POLBKMT2AALDH1A1GAAMEN1
SCHEMBL8330451 0.84 ALDH1A1 (0.49) CCR3POLBKMT2AKCNH2ALDH1A1
SCHEMBL8330706 0.83 KMT2A (0.52) POLBKMT2AALDH1A1GAAMEN1
SCHEMBL7502760 0.82 CCR3 (0.55) CCR3DRD4KMT2ACCR2KCNH2
SCHEMBL8329547 0.77 CCR3 (0.47) CCR3EPHX2DRD4POLBKMT2A
SCHEMBL8619286 0.77 CCR3 (0.46) CCR3EPHX2DRD4POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
US-5753654-A GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-19 US disclosed
US-5736550-A TREATMENT OF GASTROINTESTINAL TRACT DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-04-07 US disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed