SCHEMBL13947101

SCHEMBL13947101

COC(=O)c1cc(Oc2ncc(CN)cc2C(F)(F)F)c(F)cc1N(C(=O)C1CCCCC1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.34
▸ SCN9A Q15858 3/20 0.34
▸ RIPK1 Q13546 4/20 0.32
▸ LRRK2 Q5S007 2/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ F3 P13726 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CFTR P13569 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL13044742 0.93 SCN9A (0.35) PTK2SCN9ALRRK2
SCHEMBL13947102 0.92 SCN9A (0.34) PTK2SCN9ALRRK2OPRK1MAPT
SCHEMBL13044788 0.89 PTK2 (0.32) PTK2SCN9ARIPK1OPRK1
SCHEMBL13947329 0.88 POLB (0.37) PTK2MAPTCFTR
SCHEMBL13044756 0.86 SCN9A (0.34) PTK2SCN9A
SCHEMBL13044704 0.85 SCN9A (0.35) PTK2SCN9A
SCHEMBL13044744 0.85 SCN9A (0.33) PTK2SCN9A
SCHEMBL13044802 0.85 SCN9A (0.33) PTK2SCN9A
SCHEMBL13044814 0.85 SCN9A (0.33) PTK2SCN9A
SCHEMBL13947023 0.84 SCN9A (0.33) PTK2SCN9A

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-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — WO disclosed
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