SCHEMBL6023583

SCHEMBL6023583

CCCCCCCCCCCc1noc(-c2ccc(CN(Cc3ccc(S(=O)(=O)C(F)(F)F)cc3)C(=O)C(=O)O)c3ccccc23)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.37
CHRM4 P08173 5/20 0.37
CHRM5 P08912 5/20 0.37
CHRM1 P11229 5/20 0.37
CHRM3 P20309 5/20 0.37
SPHK1 Q9NYA1 1/20 0.36
MCL1 Q07820 1/20 0.35
CA12 O43570 6/20 0.34
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA4 P22748 2/20 0.34
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
STAT3 P40763 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL1854964 0.89 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1854904 0.86 SPHK1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1855174 0.86 SPHK1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1856085 0.84 SPHK1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6419153 0.83 SPHK1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1854639 0.80 SPHK1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1855007 0.78 CETP (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1854321 0.77 SPHK1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1850472 0.77 SPHK1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6024036 0.77 SPHK1 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed