SCHEMBL2785070

SCHEMBL2785070

COc1cccc(-c2cc(-c3cccc(Cl)c3)cc3c2NC(=O)C3(C)Cc2cc(F)cc(F)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.46
▸ CNR1 P21554 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ PTGES O14684 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ TRAP1 Q12931 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ TDP2 O95551 1/20 0.31
▸ GPR52 Q9Y2T5 1/20 0.31
▸ PIK3CD O00329 1/20 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
SCHEMBL2785941 0.88 PGR (0.47) PGRTDP2PIK3CD
SCHEMBL2785604 0.85 PGR (0.50) PGRPIK3CD
SCHEMBL2786323 0.82 PGR (0.45) PGRTDP2PIK3CD
SCHEMBL2785545 0.82 PGR (0.46) PGRPIK3CD
SCHEMBL2786310 0.81 PGR (0.46) PGRPIK3CD
SCHEMBL2785852 0.76 PGR (0.41) PGRTDP2PIK3CD
SCHEMBL3016234 0.75 PGR (0.77) PGRPIK3CD
SCHEMBL3031400 0.74 PGR (0.39) PGRKDR
SCHEMBL2786464 0.72 PGR (0.39) PGRTDP2PIK3CD
SCHEMBL2785099 0.71 EPHX2 (0.42) 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
Send feedback