SCHEMBL8364397

SCHEMBL8364397

CCC(CC)C(=O)N1CCCC(N(Cc2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccc(OC)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TAS2R14 Q9NYV8 4/20 0.45
AVPR1B P47901 7/20 0.44
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
PTGES O14684 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RORC P51449 1/20 0.43
KCNA5 P22460 1/20 0.43
OXTR P30559 2/20 0.42
AVPR1A P37288 2/20 0.42

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
SCHEMBL8363838 0.92 CNR1 (0.50) CNR1CNR2TSHRMEN1KMT2A
SCHEMBL8363847 0.91 TSHR (0.50) CNR1CNR2TSHRMEN1KMT2A
SCHEMBL8363854 0.89 CNR1 (0.53) CNR1CNR2TSHRMEN1KMT2A
SCHEMBL8363837 0.89 CNR1 (0.52) CNR1CNR2TSHRMEN1KMT2A
SCHEMBL8364400 0.87 ALDH1A1 (0.51) CNR1CNR2TSHRMEN1KMT2A
SCHEMBL8364399 0.87 ALDH1A1 (0.53) CNR1CNR2TSHRMEN1KMT2A
SCHEMBL8364380 0.86 ALDH1A1 (0.54) CNR1CNR2TSHRMEN1KMT2A
SCHEMBL8363853 0.86 TSHR (0.50) CNR1CNR2TSHRMEN1KMT2A
SCHEMBL8364214 0.85 CNR1 (0.54) CNR1CNR2TSHRMEN1KMT2A
SCHEMBL8363180 0.83 LMNA (0.50) CNR1CNR2TSHRMEN1KMT2A

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
WO-2003013527-A1 SULFONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-02-20 WO disclosed