SCHEMBL23966825

SCHEMBL23966825

CCOC(=O)C1=CN(Cc2nc3cc(OCC(F)F)c(C#N)cc3[nH]2)c2ccccc2C1=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.35
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD4 P21917 1/20 0.32
S1PR1 P21453 1/20 0.31
GCK P35557 1/20 0.31
ACACB O00763 1/20 0.31
PDE5A O76074 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
SCHEMBL23909123 0.74 S1PR2 (0.40) S1PR2HTTHSD17B10
SCHEMBL23914653 0.69 RHEB (0.41) S1PR2S1PR1ACACB
SCHEMBL23908833 0.67 S1PR2 (0.44) S1PR2
SCHEMBL23909089 0.64 S1PR2 (0.78) S1PR2
SCHEMBL23908893 0.64 S1PR2 (0.57) S1PR2
SCHEMBL23966785 0.63 S1PR2 (0.51) S1PR2
SCHEMBL23908861 0.61 S1PR2 (0.76) S1PR2
SCHEMBL23908822 0.60 S1PR2 (0.54) S1PR2
SCHEMBL23914852 0.58 XDH (0.43) S1PR2
SCHEMBL23382146 0.56 KDM4E (0.48) HTTHSD17B10

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-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed