SCHEMBL2787297

SCHEMBL2787297

CC1(Cc2cc(F)cc(F)c2)C(=O)Nc2c(-c3ncccn3)cc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.49
▸ PIK3CD O00329 4/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ GRIN1 Q05586 3/20 0.35
▸ GRIN2B Q13224 3/20 0.35
▸ TDP2 O95551 1/20 0.34
▸ SLC6A7 Q99884 1/20 0.34

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
SCHEMBL2785604 0.91 PGR (0.50) PGRPIK3CDGRM5GRIN1GRIN2B
SCHEMBL2785545 0.87 PGR (0.46) PGRPIK3CDGRM5GRIN1GRIN2B
SCHEMBL2784159 0.87 PIK3CD (0.40) PGRPIK3CD
SCHEMBL2786610 0.87 HDAC1 (0.38) PGRPIK3CDGRIN1GRIN2B
SCHEMBL2786310 0.85 PGR (0.46) PGRPIK3CDGRIN1GRIN2B
SCHEMBL2785941 0.84 PGR (0.47) PGRPIK3CDTDP2
SCHEMBL2785070 0.83 PGR (0.46) PGRPIK3CDTDP2
SCHEMBL2786323 0.82 PGR (0.45) PGRPIK3CDGRIN1GRIN2BTDP2
SCHEMBL2785852 0.81 PGR (0.41) PGRPIK3CDTDP2
SCHEMBL3016234 0.79 PGR (0.77) PGRPIK3CD

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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