SCHEMBL8619286

SCHEMBL8619286

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.46
DRD4 P21917 1/20 0.45
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 2/20 0.41
PDE2A O00408 1/20 0.40
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EPHX2 P34913 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
SCHEMBL8622390 0.90 LTA4H (0.44) POLBKMT2AMEN1
SCHEMBL8617203 0.87 POLB (0.48) CCR3POLBKMT2AMEN1
SCHEMBL8624170 0.85 ALDH1A1 (0.43) POLBPDE2AKMT2AMEN1
SCHEMBL8622621 0.85 KMT2A (0.52) POLBKMT2AMEN1
SCHEMBL8617330 0.85 ALDH1A1 (0.54) POLBPDE2AKMT2AMEN1
SCHEMBL8617097 0.83 KMT2A (0.49) POLBKMT2AMEN1
SCHEMBL8618019 0.82 DRD4 (0.52) CCR3DRD4
SCHEMBL8329547 0.77 CCR3 (0.47) CCR3DRD4POLBSMN1; SMN2ROCK2
SCHEMBL8329545 0.77 CCR3 (0.53) CCR3DRD4POLBSMN1; SMN2CCR2
SCHEMBL8622104 0.74 SLC6A4 (0.44)

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
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