SCHEMBL14715469

SCHEMBL14715469

COc1cc(C)c(S(=O)(=O)N2CCCCC2COc2nccc(CNCCN3CCC(O)(c4cccnc4)CC3)n2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
NAMPT P43490 4/20 0.36
CASP3 P42574 5/20 0.36
CASP7 P55210 4/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP1 P29466 1/20 0.34
CASP6 P55212 1/20 0.34
NPY5R Q15761 4/20 0.33
MAPT P10636 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
SCHEMBL2835146 0.87 NPY5R (0.33) NAMPTCASP3CASP7CASP1CASP6
SCHEMBL2833846 0.86 LMNA (0.39) LMNANAMPTCASP3CASP7ALDH1A1
SCHEMBL2360725 0.85 HTR7 (0.34) CASP3CASP7CASP1CASP6NPY5R
SCHEMBL2831136 0.85 LMNA (0.42) LMNANAMPTCASP3CASP7ALDH1A1
SCHEMBL2833661 0.85 HTR7 (0.34) CASP3CASP7CASP1CASP6NPY5R
SCHEMBL2837024 0.83 OPRM1 (0.33) CASP3CASP7CASP1CASP6NPY5R
SCHEMBL2834813 0.83 LMNA (0.43) LMNANAMPTCASP3CASP7ALDH1A1
SCHEMBL2835081 0.82 HTR7 (0.32) CASP3NPY5R
SCHEMBL2836662 0.81 HTR7 (0.34) CASP3CASP7CASP1CASP6NPY5R
SCHEMBL2839171 0.80 LMNA (0.41) LMNANAMPTCASP3CASP7ALDH1A1

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
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP claimed