SCHEMBL7203307

SCHEMBL7203307

CCN(CCN(CCN(CC(=O)OC(C)(C)C)CC(C(=O)O)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL7762658 0.93 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8130601 0.92 TDP1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8135274 0.90 TDP1 (0.34) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5555346 0.84
SCHEMBL8132756 0.83 SYK (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8120285 0.82 AKT1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8875240 0.82 AKT1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7567960 0.82 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8057950 0.82
SCHEMBL23711054 0.82 CA12 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3

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-6607710-B1 Provide a bisphosphonic acid derivative and said bisphosphonic acid derivative being labeled with a radioactive nuclide, which has properties of rapid accumulation to the bone and rapid urinary excretion. NIHON MEDI-PHYSICS CO., LTD. (JP) 2003-08-19 US disclosed