SCHEMBL21391014

SCHEMBL21391014

C[C@](O)(CC(=O)CCCCc1nc2ccc(C(F)(F)F)cc2n1-c1cc(F)cc(F)c1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.33
S1PR1 P21453 3/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR7 P34969 1/20 0.32
CSNK1D P48730 1/20 0.32
CCRL2 O00421 1/20 0.31
BMI1 P35226 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 1.00 MCHR1 (0.35) MCHR1PTGDR2S1PR1LMNAL3MBTL1
SCHEMBL18791680 0.80 CSNK1D (0.40) MCHR1S1PR1CSNK1DCCRL2BMI1
SCHEMBL20111052 0.80 CSNK1D (0.40) MCHR1S1PR1CSNK1DCCRL2BMI1
SCHEMBL18791682 0.80 CSNK1D (0.40) MCHR1S1PR1CSNK1DCCRL2BMI1
SCHEMBL21390878 0.79 PTGDR2 (0.34) MCHR1PTGDR2HTR7
SCHEMBL21390876 0.79 MCHR1 (0.36) MCHR1PTGDR2
SCHEMBL21771777 0.73 ALK (0.37) MCHR1CSNK1D
SCHEMBL21390906 0.71 PDE2A (0.31)
SCHEMBL21391033 0.71 ACSS2 (0.33) S1PR1
SCHEMBL21390907 0.71 RORC (0.32)

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