SCHEMBL23770779

SCHEMBL23770779

Cc1ccccc1-c1nc(NSc2cccc(N3CCC(N4CCCC4)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
SOS1 Q07889 3/20 0.32
SMYD2 Q9NRG4 1/20 0.32
C5AR1 P21730 4/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CTSS P25774 1/20 0.31
TTR P02766 1/20 0.31
CTSC P53634 1/20 0.30

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
SCHEMBL23770433 0.88 PDE10A (0.36)
SCHEMBL23770664 0.87 NPY5R (0.36)
SCHEMBL23770673 0.87 HRH4 (0.35) HRH3
SCHEMBL23770840 0.86 KDM4E (0.35) C5AR1
SCHEMBL23770436 0.86 DPP4 (0.39) IRAK4
SCHEMBL23770725 0.85 CYP1A2 (0.37) HRH3IRAK4
SCHEMBL23770828 0.85
SCHEMBL23770658 0.85 CTSS (0.31) CTSSTTR
SCHEMBL23770608 0.85 NOTUM (0.41) TTR
SCHEMBL23770753 0.84 GRIN2B (0.36) SOS1

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