SCHEMBL4313445

SCHEMBL4313445

CC(=O)N[CH]CN1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.42
CHRM3 P20309 2/20 0.42
SIGMAR1 Q99720 7/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
PADI1 Q9ULC6 1/20 0.31
PADI4 Q9UM07 1/20 0.31

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
SCHEMBL1705461 0.75 CHRM5 (0.42) CHRM5CHRM3SIGMAR1KMT2AMEN1
Acetic Acid SCHEMBL10901374 0.72 CHRM5 (0.40) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL17532545 0.72 CHRM5 (0.40) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL24737682 0.71 NPSR1 (0.72) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL9404145 0.70 GBA1 (0.43) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL1483821 0.68 CHRM5 (0.61) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL23798166 0.68 MEN1 (0.37) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL1021302 0.68 MEN1 (0.59) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL24247411 0.67 CHRM5 (0.55) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL8038 0.67 CHRM5 (0.55) CHRM5CHRM3SIGMAR1KMT2AMEN1

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
US-20090239981-A1 WATER-BASED INKJET RECORDING INK FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed