SCHEMBL4281858

SCHEMBL4281858

CCOc1cc(C(=O)C2C(=O)c3cc(-c4nnn[nH]4)ccc3OC23CCNCC3)cc(OCC)c1-c1ccnc(F)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4272809 1.00 SSTR5 (0.31) SSTR5KCNH2
SCHEMBL4418928 0.88 ROCK2 (0.32)
SCHEMBL4266695 0.87
SCHEMBL4758667 0.84
SCHEMBL4267712 0.82 OPRD1 (0.32) KCNH2
SCHEMBL4266728 0.82 OPRD1 (0.32) KCNH2
SCHEMBL4266808 0.81 OPRD1 (0.32) KCNH2
SCHEMBL4787162 0.81 PDE5A (0.31)
SCHEMBL3856567 0.80
SCHEMBL1165288 0.80 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 claimed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO claimed