SCHEMBL5329457

SCHEMBL5329457

CCN1C(=O)OCC1Cc1ccc(Oc2ccc(N(C)c3ccc(C(F)(F)F)cn3)cc2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.33
MGLL Q99685 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLQ O75417 2/20 0.31
LIPE Q05469 4/20 0.31
GCK P35557 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
SCN10A Q9Y5Y9 2/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL4506374 1.00 SCN9A (0.33) SCN9AMGLLLMNAMAPTATM
SCHEMBL5317212 0.92 RXRA (0.33) SCN9AMGLLLMNAMAPTATM
SCHEMBL4507020 0.92 RXRA (0.33) SCN9AMGLLLMNAMAPTATM
SCHEMBL4524286 0.91 HTR1D (0.35) SCN9AMGLLPOLQLIPEGCK
SCHEMBL5329788 0.91 HTR1D (0.35) SCN9AMGLLPOLQLIPEGCK
SCHEMBL13763360 0.88 PIK3CA (0.31) KDM4C
SCHEMBL5370735 0.87 LIPE (0.34) SCN9AMGLLPOLQLIPE
SCHEMBL5333522 0.87 HSPB1 (0.36) LMNAMAPTL3MBTL1KDM4C
SCHEMBL4512372 0.87 HSPB1 (0.36) LMNAMAPTL3MBTL1KDM4C
SCHEMBL4508563 0.82 SCN9A (0.36) SCN9ALIPE

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-2007029062-A2 NOVEL PYRIDINE DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed