SCHEMBL5562279

SCHEMBL5562279

CCCc1c(CO)nn(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CRHR1 P34998 1/20 0.31
MAPT P10636 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
SCHEMBL5561074 0.90 PTGDR2 (0.34) PTGDR2MAPT
SCHEMBL5562687 0.82 PTGDR2 (0.33) PTGDR2MAPT
SCHEMBL5562369 0.80 PTGDR2 (0.32) PTGDR2
SCHEMBL5561781 0.80 PTGDR2 (0.38) PTGDR2MAPT
SCHEMBL5560926 0.79 KCNH2 (0.47) PTGDR2MAPT
SCHEMBL5556140 0.78 MAPT (0.38) PTGDR2MAPT
SCHEMBL5555445 0.78 CYP1A2 (0.41) PTGDR2
SCHEMBL14454026 0.76 L3MBTL1 (0.37) PTGDR2MAPT
SCHEMBL5555794 0.76 PTGDR2 (0.34) PTGDR2
SCHEMBL14454018 0.75 PTGDR2 (0.47) PTGDR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597235-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-08-15 EP disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed