SCHEMBL23770739

SCHEMBL23770739

Fc1cccc(-c2nc(NSc3cccc(N4CCC4)n3)ccc2C(F)(F)F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.38
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN11 Q06124 1/20 0.33
ADRB2 P07550 1/20 0.32
GALR2 O43603 1/20 0.32
GALR1 P47211 1/20 0.32
MPL P40238 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL23770606 0.92 ADRB2 (0.43) CNR2MAPK3MAPK1PTPN11ADRB2
SCHEMBL23770650 0.88 PTPN11 (0.32) CNR2MAPK3MAPK1PTPN11
SCHEMBL23770694 0.86 GALR2 (0.40) CNR2GALR2GALR1PDE10A
SCHEMBL23770880 0.86 RORC (0.41) MAPK3MAPK1PTPN11
SCHEMBL23770433 0.83 PDE10A (0.36) CNR2GALR2GALR1PDE10A
SCHEMBL23770664 0.82 NPY5R (0.36) CNR2MAPK1GALR2GALR1PDE10A
SCHEMBL23770453 0.81 CYP1A2 (0.40) ADRB2GALR2GALR1
SCHEMBL23770593 0.80 GALR2 (0.33) GALR2GALR1PDE10A
SCHEMBL23770819 0.80 HTR3A (0.41) PTPN11ADRB2
SCHEMBL23770686 0.80 RBP4 (0.35) CNR2PDE10A

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