SCHEMBL101609

SCHEMBL101609

C[N+]1(C)[C@@H]2C[C@@H](OC(=O)Nc3cc(CCCCC(=O)Nc4ccc(C=O)cc4)ccc3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.39
CHRM2 P08172 4/20 0.39
CHRM1 P11229 4/20 0.39
BLM P54132 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
ADRB2 P07550 6/20 0.35

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
SCHEMBL101610 1.00 CHRM3 (0.39) CHRM3CHRM2CHRM1BLMCHRM4
Iodide SCHEMBL664065 0.99 CHRM3 (0.38) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL99810 0.93 CHRM3 (0.41) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL99811 0.93 CHRM3 (0.41) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL98616 0.92 CHRM3 (0.44) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL98617 0.92 CHRM3 (0.44) CHRM3CHRM2CHRM1BLMCHRM4
Iodide SCHEMBL663668 0.92 CHRM3 (0.40) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL100253 0.92 HCAR2 (0.38) CHRM3CHRM2CHRM1BLMCHRM4
SCHEMBL100254 0.92 HCAR2 (0.38) CHRM3CHRM2CHRM1BLMCHRM4
Iodide SCHEMBL661581 0.91 CHRM3 (0.43) CHRM3CHRM2CHRM1BLMCHRM4

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-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed