SCHEMBL18993236

SCHEMBL18993236

CCCN(C)C(=O)CCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.49
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL18993235 0.84 CHRM3 (0.50) CHRM3CARM1PRMT6
SCHEMBL740042 0.82 CHRM3 (0.75) CHRM3
SCHEMBL783740 0.78 CHRM2 (0.46) CHRM3CARM1PRMT6CHRM2
SCHEMBL783900 0.77 CHRM3 (0.36) CHRM3CHRM2
SCHEMBL783776 0.76 CHRM2 (0.46) CHRM3CHRM2
SCHEMBL19215589 0.74 CHRM3 (0.74) CHRM3
SCHEMBL783894 0.74 CHRM2 (0.40) CHRM3CHRM2
SCHEMBL18239943 0.74 CHRM3 (0.68) CHRM3
SCHEMBL693450 0.74 CHRM3 (0.65) CHRM3
SCHEMBL693841 0.73 CHRM3 (0.67) CHRM3

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-9682957-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2017-06-20 US disclosed