SCHEMBL27593183

SCHEMBL27593183

CCN1CCc2cc(C(=O)CCCCNCCCc3ccccc3OC)ccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
MAPT P10636 1/20 0.47
MPO P05164 1/20 0.41
BCHE P06276 2/20 0.41
DRD4 P21917 1/20 0.41
CHRM2 P08172 1/20 0.40

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
SCHEMBL13987380 0.96 ACHE (0.47) ACHEMAPTBCHEDRD4CHRM2
Hydrochloric Acid SCHEMBL4861521 0.96 ACHE (0.46) ACHEMAPTBCHEDRD4CHRM2
Hydrochloric Acid SCHEMBL27611272 0.90 MAPT (0.42) ACHEMAPTDRD4
Hydrochloric Acid SCHEMBL27593258 0.90 ACHE (0.46) ACHEMAPT
Hydrochloric Acid SCHEMBL27611236 0.89 MAPT (0.42) ACHEMAPTBCHE
SCHEMBL13987583 0.88 TRIM24 (0.49) MAPT
SCHEMBL13987446 0.87 ACHE (0.47) ACHEMAPT
SCHEMBL13987383 0.87 MAPT (0.43) ACHEMAPTBCHEDRD4CHRM2
Hydrochloric Acid SCHEMBL4891016 0.87 MAPT (0.43) ACHEMAPTBCHEDRD4CHRM2
Hydrochloric Acid SCHEMBL4851549 0.87 TRIM24 (0.49) MAPT

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