SCHEMBL2786310

SCHEMBL2786310

CC1(Cc2cc(F)cc(F)c2)C(=O)Nc2c(-c3cnc(N)cn3)cc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.46
▸ ALOX5AP P20292 7/20 0.36
▸ FEN1 P39748 7/20 0.36
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ PIK3CD O00329 3/20 0.33

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
SCHEMBL2785941 0.88 PGR (0.47) PGRPIK3CD
SCHEMBL2786323 0.87 PGR (0.45) PGRGRIN1GRIN2BPIK3CD
SCHEMBL2785545 0.87 PGR (0.46) PGRGRIN1GRIN2BPIK3CD
SCHEMBL2785604 0.85 PGR (0.50) PGRGRIN1GRIN2BPIK3CD
SCHEMBL2785070 0.81 PGR (0.46) PGRPIK3CD
SCHEMBL2784931 0.80 ALOX5AP (0.39) PGRALOX5APFEN1PIK3CD
SCHEMBL2785852 0.76 PGR (0.41) PGRPIK3CD
SCHEMBL3016234 0.75 PGR (0.77) PGRPIK3CD
SCHEMBL2785053 0.74 PGR (0.39) PGRGRIN1GRIN2B
SCHEMBL2787876 0.74 HDAC1 (0.35) PGRALOX5APFEN1PIK3CD

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
EP-2209373-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-28 — — EP claimed
WO-2009045386-A1 N-SUBSTITUTED OXINDOLINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 — — WO claimed
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