SCHEMBL2785604

SCHEMBL2785604

CC1(Cc2cc(F)cc(F)c2)C(=O)Nc2c(-c3ccccn3)cc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.50
▸ GRM5 P41594 3/20 0.40
▸ PIK3CD O00329 6/20 0.38
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 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
SCHEMBL2787297 0.91 PGR (0.49) PGRGRM5PIK3CDGRIN1GRIN2B
SCHEMBL2785852 0.90 PGR (0.41) PGRPIK3CDEPHX2
SCHEMBL2785545 0.89 PGR (0.46) PGRGRM5PIK3CDEPHX2GRIN1
SCHEMBL2785941 0.86 PGR (0.47) PGRPIK3CD
SCHEMBL2785070 0.85 PGR (0.46) PGRPIK3CD
SCHEMBL2786310 0.85 PGR (0.46) PGRPIK3CDGRIN1GRIN2B
SCHEMBL2785648 0.85 PIK3CD (0.38) PGRPIK3CDEPHX2GRIN1GRIN2B
SCHEMBL2786323 0.82 PGR (0.45) PGRPIK3CDEPHX2GRIN1GRIN2B
SCHEMBL2784455 0.81 PGR (0.40) PGRPIK3CDGRIN1GRIN2B
SCHEMBL2786610 0.78 HDAC1 (0.38) PGRPIK3CDGRIN1GRIN2B

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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