SCHEMBL1426253

SCHEMBL1426253

CCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CC3(C2)CN(c2ccn4cnnc4c2)C3)cn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.52
KCNH2 Q12809 5/20 0.52
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 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
SCHEMBL1426255 1.00 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL1426282 0.90 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL1426285 0.90 MCHR1 (0.52) MCHR1KCNH2PARP1PARP2
SCHEMBL1426896 0.88 MCHR1 (0.50) MCHR1KCNH2PARP1PARP2
SCHEMBL1426897 0.88 MCHR1 (0.50) MCHR1KCNH2PARP1PARP2
SCHEMBL1426604 0.87 MCHR1 (0.49) MCHR1KCNH2PARP1PARP2
SCHEMBL1426601 0.87 MCHR1 (0.49) MCHR1KCNH2PARP1PARP2
SCHEMBL1426335 0.86 MCHR1 (0.48) MCHR1KCNH2PARP1PARP2
SCHEMBL1426331 0.86 MCHR1 (0.48) MCHR1KCNH2PARP1PARP2
SCHEMBL1426366 0.85 MCHR1 (0.51) MCHR1KCNH2PARP1PARP2

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-2301936-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2011-03-30 EP disclosed