SCHEMBL29566912

SCHEMBL29566912

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.35
▸ HTR7 P34969 6/20 0.35
▸ SLC8A1 P32418 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ BRD4 O60885 3/20 0.33
▸ JAK2 O60674 4/20 0.32
▸ JAK3 P52333 3/20 0.32
▸ PTK2 Q05397 3/20 0.32
▸ PCK1 P35558 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ MAP4K3 Q8IVH8 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ MMP3 P08254 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
SCHEMBL26808948 1.00 HTR1A (0.35) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL26808698 0.93 HTR1A (0.36) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL24309867 0.91 SCN9A (0.37) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL29566854 0.91 SCN9A (0.37) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL29566432 0.90 HTR1A (0.36) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL24309924 0.90 HTR1A (0.36) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL29567061 0.90 HTR1A (0.37) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL24309783 0.90 HTR1A (0.37) HTR1AHTR7SLC8A1DRD2HTR6
SCHEMBL24309717 0.89 RAD52 (0.39) HTR1AHTR7HTR6BRD4JAK2
SCHEMBL24310732 0.89 HTR1A (0.36) HTR1AHTR7SLC8A1DRD2HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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