SCHEMBL27795281

SCHEMBL27795281

O[C@](c1ccccc1)(c1ncc(CCBr)o1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.40
CHRM2 P08172 12/20 0.38
CHRM1 P11229 12/20 0.38
CHRM4 P08173 11/20 0.38
CHRM5 P08912 11/20 0.38
CYP2D6 P10635 4/20 0.38
HRH1 P35367 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
SCN1A P35498 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CYP19A1 P11511 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KCNH2 Q12809 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL27774376 1.00 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL27736539 1.00 CHRM3 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28785218 0.99 HRH1 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28782458 0.99 HRH1 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL28785217 0.96 HRH1 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL3214438 0.90 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1109824 0.90 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL3206180 0.90 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL3216281 0.90 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL1109855 0.89 CYP2D6 (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5

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
CN-101657452-A Hete rocyclic derivatives as the M3 muscarinic receptor ARGENTA DISCOVERY LTD GB 2010-02-24 CN disclosed