SCHEMBL13815448

SCHEMBL13815448

COCC(COC)N(C(=O)C1CCC(C)CC1)c1cc(F)c(Oc2ncc(CCl)cc2C(F)(F)F)cc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.33
▸ PTK2 Q05397 1/20 0.31
▸ KDR P35968 2/20 0.31
▸ LRRK2 Q5S007 3/20 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
SCHEMBL11991594 1.00 SCN9A (0.33) SCN9APTK2KDRLRRK2
SCHEMBL11991588 0.93 PTK2 (0.32) SCN9APTK2LRRK2
SCHEMBL11991702 0.92 PTK2 (0.31) SCN9APTK2LRRK2
SCHEMBL11991626 0.92 PTK2 (0.31) SCN9APTK2LRRK2
SCHEMBL11991686 0.92 LRRK2 (0.32) SCN9APTK2LRRK2
SCHEMBL13044704 0.92 SCN9A (0.35) SCN9APTK2KDR
SCHEMBL13815400 0.91 FFAR4 (0.31) SCN9APTK2
SCHEMBL11991616 0.91 FFAR4 (0.31) SCN9APTK2
SCHEMBL11991624 0.90 PTK2 (0.30) SCN9APTK2
SCHEMBL11991511 0.90 PTK2 (0.32) SCN9APTK2KDRLRRK2

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-2009076747-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — WO disclosed
Send feedback