SCHEMBL23770834

SCHEMBL23770834

COc1ccc(Cl)cc1-c1nc(NSc2cccc(N3CCCC(C)(C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.36
KCNH2 Q12809 1/20 0.36
RBP4 P02753 7/20 0.35
CNR1 P21554 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
BTK Q06187 3/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CNR2 P34972 1/20 0.33
SLC6A9 P48067 2/20 0.32
MALT1 Q9UDY8 1/20 0.32
RAF1 P04049 1/20 0.31
NTRK1 P04629 1/20 0.31
BRAF P15056 1/20 0.31
DDR1 Q08345 1/20 0.31

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
SCHEMBL23770470 0.93 DGAT1 (0.35) DGAT1KCNH2RBP4CNR1BTK
SCHEMBL23770877 0.92 RBP4 (0.35) DGAT1KCNH2RBP4CNR1HTR2A
SCHEMBL19970086 0.91 DGAT1 (0.37) DGAT1KCNH2RBP4CNR1BTK
SCHEMBL19970017 0.88 HCRTR1 (0.35) DGAT1KCNH2CNR1BTKHCRTR1
SCHEMBL23770734 0.88 HCRTR1 (0.35) DGAT1KCNH2CNR1BTKHCRTR1
SCHEMBL19970083 0.86 BTK (0.34) DGAT1KCNH2BTKHCRTR1HCRTR2
SCHEMBL23770875 0.86 BTK (0.34) DGAT1KCNH2BTKHCRTR1HCRTR2
SCHEMBL19951333 0.86 RBP4 (0.36) DGAT1KCNH2RBP4CNR1HTR2A
SCHEMBL19927799 0.86 RBP4 (0.36) DGAT1KCNH2RBP4CNR1HTR2A
SCHEMBL23770722 0.84 HMOX1 (0.34) DGAT1KCNH2CNR1CNR2BRAF

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-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed