SCHEMBL4418928

SCHEMBL4418928

CCOc1cc(C(=O)C2C(=O)c3cc(-c4nnn[nH]4)ccc3OC23CCNCC3)cc(OCC)c1-c1cn[nH]c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.32
ROCK1 Q13464 3/20 0.32

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
SCHEMBL4266695 0.90
SCHEMBL4272809 0.88 SSTR5 (0.31)
SCHEMBL4281858 0.88 SSTR5 (0.31)
SCHEMBL4758667 0.84
SCHEMBL4787162 0.83 PDE5A (0.31)
SCHEMBL4267712 0.83 OPRD1 (0.32)
SCHEMBL4266728 0.83 OPRD1 (0.32)
SCHEMBL4266808 0.82 OPRD1 (0.32)
SCHEMBL3856567 0.81
SCHEMBL1165288 0.81 ACACB (0.40)

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-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed