SCHEMBL29600856

SCHEMBL29600856

O=Cc1ncc(OC2CCC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
ACACB O00763 3/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ABL1 P00519 1/20 0.36
GRM5 P41594 3/20 0.36
POLB P06746 1/20 0.35
FFAR4 Q5NUL3 5/20 0.35
PARP10 Q53GL7 1/20 0.34
DHODH Q02127 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL24323923 1.00 PDGFRB (0.40) PDGFRBPDGFRAACACBPTGS1PTGS2
SCHEMBL15918737 0.78 PDGFRB (0.41) PDGFRBPDGFRAACACBPTGS1PTGS2
SCHEMBL1391081 0.77 PARP10 (0.44) ACACBFFAR4PARP10
SCHEMBL29955130 0.76 PDGFRB (0.35) PDGFRBPDGFRAABL1POLBPARP10
SCHEMBL17796055 0.75 ERN1 (0.35)
SCHEMBL15918602 0.74 PDGFRB (0.44) PDGFRBPDGFRAACACBPTGS1PTGS2
SCHEMBL20000562 0.74 PDGFRB (0.44) PDGFRBPDGFRAACACBPTGS1PTGS2
SCHEMBL20000529 0.74 PDGFRB (0.48) PDGFRBPDGFRAACACBPTGS1PTGS2
SCHEMBL16741178 0.73 KDM4E (0.35) PDGFRBPDGFRADHODH
SCHEMBL24323638 0.73 PARP10 (0.40) PDGFRBPDGFRAACACBABL1GRM5

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-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed