SCHEMBL27611237

SCHEMBL27611237

COc1ccccc1CCNCCCCC(=O)c1ccc2c(c1)N[CH]N2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.45
BCHE P06276 5/20 0.45
ACHE P22303 5/20 0.45
SLC2A1 P11166 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
TP53 P04637 1/20 0.43
CHRM4 P08173 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM5 P08912 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
TSHR P16473 1/20 0.43
CHRM3 P20309 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL27593313 0.84 HIF1A (0.41) CHRM2ACHESLC2A1TP53
SCHEMBL6035455 0.83 CRBN (0.47) CHRM2BCHEACHETP53
SCHEMBL13987377 0.82 ACHE (0.58) CHRM2BCHEACHESLC2A1MTNR1A
SCHEMBL6035179 0.82 HDAC3 (0.48) CHRM2BCHEACHEGRIN1GRIN2A
Hydrochloric Acid SCHEMBL4860049 0.82 CRBN (0.47) CHRM2BCHEACHETP53
Hydrochloric Acid SCHEMBL4850161 0.82 ACHE (0.57) CHRM2BCHEACHESLC2A1MTNR1A
Hydrochloric Acid SCHEMBL4852342 0.81 HDAC3 (0.48) CHRM2BCHEACHETP53CHRM4
SCHEMBL6034791 0.81 POLB (0.45) CHRM2BCHEACHESLC2A1MTNR1A
SCHEMBL6035845 0.80 ACHE (0.42) CHRM2BCHEACHESLC2A1MTNR1A
Hydrochloric Acid SCHEMBL4860176 0.80 POLB (0.44) CHRM2BCHEACHESLC2A1MTNR1A

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-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed