SCHEMBL17690708

SCHEMBL17690708

CCC1CCN(S(=O)(=O)CCCC(=O)N2CCC[C@@H](O)C2)CC1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GNAI3 P08754 4/20 0.33
GNAO1 P09471 4/20 0.33
GNAI1 P63096 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL770923 0.82 KMT2A (0.39) KMT2AMEN1POLBMAPTCYP1A2
SCHEMBL15380801 0.82 KMT2A (0.39) KMT2AMEN1POLBMAPTCYP1A2
SCHEMBL771725 0.74 CHRM2 (0.39) KMT2AMEN1POLBMAPTCHRM2
SCHEMBL771724 0.74 CHRM2 (0.39) KMT2AMEN1POLBMAPTCHRM2
SCHEMBL31542034 0.74 MEN1 (0.71) KMT2AMEN1POLBMAPTCHRM2
SCHEMBL770922 0.72 CHRM2 (0.37) KMT2AMEN1POLBMAPTCYP1A2
SCHEMBL770513 0.72 KMT2A (0.56) KMT2AMEN1POLBMAPTCYP1A2
SCHEMBL8641154 0.72 MEN1 (0.63) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL12763881 0.71 MEN1 (0.57) KMT2AMEN1POLBMAPTCHRM2
SCHEMBL770724 0.70 HSD11B1 (0.40) KMT2AMEN1POLBMAPTGNAI3

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-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed