SCHEMBL13295293

SCHEMBL13295293

COc1cc(C(=O)C=O)ccc1C(=O)N(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.60
CHRM3 P20309 17/20 0.56
SLC2A1 P11166 2/20 0.55

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
SCHEMBL643058 0.92 CHRM2 (0.62) CHRM2CHRM3SLC2A1
SCHEMBL644727 0.90 CHRM2 (0.58) CHRM2CHRM3SLC2A1
SCHEMBL643141 0.88 CHRM2 (0.63) CHRM2CHRM3SLC2A1
SCHEMBL2455843 0.87 CHRM2 (0.61) CHRM2CHRM3SLC2A1
SCHEMBL643643 0.85 CHRM2 (0.59) CHRM2CHRM3SLC2A1
SCHEMBL1304021 0.83 CHRM2 (0.78) CHRM2CHRM3SLC2A1
SCHEMBL3764432 0.83 CHRM2 (0.56) CHRM2CHRM3SLC2A1
SCHEMBL356695 0.82 CHRM2 (0.72) CHRM2CHRM3
SCHEMBL3128994 0.81 CHRM2 (0.68) CHRM2CHRM3SLC2A1
SCHEMBL643689 0.81 CHRM2 (0.58) CHRM2CHRM3SLC2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed
US-7728144-B2 Biphenyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC (US) 2010-06-01 US disclosed