SCHEMBL2784455

SCHEMBL2784455

CC1(Cc2cc(F)cc(F)c2)C(=O)Nc2c(-c3ncccn3)cc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.40
▸ PIK3CD O00329 7/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ AR P10275 1/20 0.38
▸ TDP2 O95551 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL2785852 0.91 PGR (0.41) PGRPIK3CDNR3C1NR3C2AR
SCHEMBL2787297 0.90 PGR (0.49) PGRPIK3CDTDP2GRIN1GRIN2B
SCHEMBL2784159 0.88 PIK3CD (0.40) PGRPIK3CDHDAC1HDAC8HDAC6
SCHEMBL2786464 0.88 PGR (0.39) PGRPIK3CDNR3C1NR3C2AR
SCHEMBL2786610 0.83 HDAC1 (0.38) PGRPIK3CDGRIN1GRIN2BHDAC1
SCHEMBL2785774 0.82 HDAC1 (0.37) PGRPIK3CDHDAC1HDAC8HDAC6
SCHEMBL2785604 0.81 PGR (0.50) PGRPIK3CDGRIN1GRIN2B
SCHEMBL2786152 0.80 GRIN1 (0.40) PGRPIK3CDGRIN1GRIN2B
SCHEMBL3014377 0.79 PGR (0.58) PGRPIK3CDNR3C1NR3C2AR
SCHEMBL2785648 0.79 PIK3CD (0.38) PGRPIK3CDGRIN1GRIN2BHDAC1

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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