SCHEMBL2225335

SCHEMBL2225335

CC(C)(C)N(CCc1coc2ccc(S(=O)(=O)c3cccc(F)c3)cc12)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR2C P28335 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
HTR6 P50406 12/20 0.38
NAMPT P43490 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PTGER2 P43116 2/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13505428 0.79 MTNR1A (0.43) HTR6NAMPT
SCHEMBL2224241 0.76 HTR1A (0.47) HTR1AHTR1DHTR2C
SCHEMBL16551399 0.71 NAMPT (0.41) ABCC9ABCC8KCNJ11KCNJ8HTR6
SCHEMBL2223467 0.70 NQO2 (0.46) ABCC9ABCC8KCNJ11KCNJ8HTR6
SCHEMBL2226805 0.69 ALOX15 (0.41) HTR1AHTR1DHTR2CMEN1KMT2A
SCHEMBL4569736 0.69 PTGDR (0.40) HTR2CHTR6PTGDR2PTGER2MEN1
SCHEMBL16444560 0.67 MAOB (0.37) HTR1AHTR1DHTR2CMEN1KMT2A
SCHEMBL16551637 0.67 MTNR1A (0.43) PTGDR2
SCHEMBL16443954 0.66 LMNA (0.36) HTR1AHTR1DHTR2CMEN1KMT2A
SCHEMBL16551778 0.65 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8HTR6

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-2011087712-A2 TRICYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS CEPHALON, INC. (US) 2011-07-21 WO disclosed