SCHEMBL21940313

SCHEMBL21940313

Nc1cc(OCC2CCOC2)nc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
XDH P47989 6/20 0.43
TLR7 Q9NYK1 2/20 0.41
GRM5 P41594 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
GRM4 Q14833 2/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
P2RX3 P56373 4/20 0.35
P2RX2 Q9UBL9 4/20 0.35
SCN8A Q9UQD0 1/20 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
SCHEMBL21940508 0.81 GPR84 (0.41)
SCHEMBL21940472 0.78 SOS1 (0.41) GRM5P2RX3P2RX2
SCHEMBL21940590 0.78 IDH1 (0.37) LOXL2
SCHEMBL21940466 0.75 SYK (0.44) GRM5LOXL2
SCHEMBL21940467 0.74 IDH1 (0.36) LOXL2SCN8A
SCHEMBL20606969 0.73 CA2 (0.39) LOXL2
SCHEMBL20606883 0.72 HSP90AA1 (0.42) GRM5LOXL2
SCHEMBL24566255 0.70 TLR7 (0.35) TLR7
SCHEMBL30442165 0.70 TLR7 (0.35) TLR7
SCHEMBL5338216 0.69 MCHR1 (0.63) MCHR1XDHTLR7GRM5IRAK4

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-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 EP disclosed