SCHEMBL8474361

SCHEMBL8474361

CCc1ccc(-c2c([O])cc(F)c(CCc3cc(F)c(C#N)c(F)c3)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.37
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2A6 P11509 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
GRIA2 P42262 3/20 0.32
GRIA4 P48058 3/20 0.32
FFAR4 Q5NUL3 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8473158 0.92 ALDH1A1 (0.41) PDE9AMEN1ALDH1A1MAPTKMT2A
SCHEMBL8470743 0.90 TSHR (0.37) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL8470570 0.89 TSHR (0.41) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL8836445 0.88 FFAR4 (0.34) FFAR4
SCHEMBL8475071 0.87 TRPV4 (0.31) PDE9ATRPV4
SCHEMBL8836518 0.87 DAO (0.41) TRPV4
SCHEMBL8472567 0.87 CYP2A6 (0.45) PDE9ACYP2A6GRIA2GRIA4FFAR4
SCHEMBL8475221 0.87 TRPV4 (0.31) TRPV4
SCHEMBL8472473 0.82 FFAR4 (0.38) FFAR4
SCHEMBL8470863 0.82 TRPV4 (0.31) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed