SCHEMBL11429461

SCHEMBL11429461

CCN(CCNCCc1ccc(OCc2ccccc2)cc1)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FOXM1 Q08050 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
SCHEMBL11430223 0.93 BCHE (0.51) BCHEMEN1KMT2AHRH3CA12
SCHEMBL11442329 0.88 MAPT (0.40) MEN1KMT2A
SCHEMBL11441540 0.87 BCHE (0.54) BCHEMEN1KMT2AHRH3CA12
SCHEMBL4689458 0.86 BCHE (0.55) BCHEHRH3
SCHEMBL11440086 0.86 KCNH2 (0.50) MEN1KMT2A
SCHEMBL11435156 0.84 HTT (0.45)
SCHEMBL11435585 0.79 BCHE (0.53) BCHEMEN1KMT2ACA12CA1
SCHEMBL11435588 0.77 LTB4R (0.49) BCHEHRH3
SCHEMBL11426613 0.76 BCHE (0.55) BCHEMEN1KMT2ACA12CA1
SCHEMBL11435590 0.76 SIGMAR1 (0.54) BCHEMEN1KMT2A

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-0017376-A1 Phenylacetamide compounds and an analgesic composition containing them KISSEI PHARMACEUTICAL CO. LTD (JP) 1980-10-15 EP disclosed