SCHEMBL21390878

SCHEMBL21390878

O=C(CCCCc1nc2ccc(C(F)(F)F)cc2n1-c1cc(F)cc(F)c1)CC1(O)CCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.34
MCHR1 Q99705 6/20 0.33
SCN9A Q15858 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL21390879 0.79 MCHR1 (0.35) PTGDR2MCHR1HTR7
SCHEMBL21391014 0.79 MCHR1 (0.35) PTGDR2MCHR1HTR7
SCHEMBL17582729 0.78 MCHR1 (0.38) MCHR1SCN9A
SCHEMBL21390876 0.72 MCHR1 (0.36) PTGDR2MCHR1
SCHEMBL21390851 0.70 RORC (0.31)
SCHEMBL21391008 0.68 PDE2A (0.31)
SCHEMBL21390957 0.67 NTRK1 (0.33) HTR7
SCHEMBL21390841 0.67 HDAC1 (0.35)
SCHEMBL21391109 0.66
SCHEMBL21390840 0.66 HDAC1 (0.35)

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
WO-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed