SCHEMBL8329547

SCHEMBL8329547

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.47
DRD4 P21917 1/20 0.45
POLB P06746 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE2A O00408 1/20 0.40
ROCK2 O75116 2/20 0.40
CCR2 P41597 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8326148 0.90 LTA4H (0.45) POLBMAOAMAOBKMT2AMEN1
SCHEMBL8326337 0.87 POLB (0.49) CCR3POLBMAOAMAOBKMT2A
SCHEMBL8327678 0.85 KMT2A (0.53) POLBMAOAMAOBKMT2AMEN1
SCHEMBL8324361 0.85 CYP1A2 (0.40) POLBROCK2MAOAMAOBKMT2A
SCHEMBL8329017 0.84 ALDH1A1 (0.54) POLBPDE2AMAOAMAOBKMT2A
SCHEMBL8330452 0.84 ALDH1A1 (0.43) POLBPDE2AMAOAMAOBKMT2A
SCHEMBL8330708 0.82 KMT2A (0.52) POLBKMT2AMEN1ALDH1A1
SCHEMBL7502764 0.82 DRD4 (0.50) CCR3DRD4
SCHEMBL8329545 0.77 CCR3 (0.53) CCR3DRD4POLBSMN1; SMN2CCR2
SCHEMBL8619286 0.77 CCR3 (0.46) CCR3DRD4POLBSMN1; SMN2PDE2A

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 3 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
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