SCHEMBL23770673

SCHEMBL23770673

CNC1CCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4C)n3)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL23770840 0.88 KDM4E (0.35)
SCHEMBL23770725 0.87 CYP1A2 (0.37) HRH3
SCHEMBL23770658 0.87 CTSS (0.31)
SCHEMBL23770779 0.87 HRH3 (0.36) HRH3
SCHEMBL23770608 0.86 NOTUM (0.41)
SCHEMBL23770436 0.86 DPP4 (0.39)
SCHEMBL23770433 0.86 PDE10A (0.36)
SCHEMBL23770753 0.85 GRIN2B (0.36)
SCHEMBL23770664 0.85 NPY5R (0.36)
SCHEMBL23770859 0.84 CYP1A2 (0.44) HRH4HRH3

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