SCHEMBL7726802

SCHEMBL7726802

COc1ccc2nccc(CCC[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47

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
SCHEMBL7725186 0.90 MTNR1A (0.43) KCNH2
SCHEMBL7725844 0.89 MTNR1A (0.44) KCNH2
SCHEMBL5207068 0.89 MTNR1A (0.44) KCNH2
SCHEMBL5207330 0.87 CYP2D6 (0.46) KCNH2
SCHEMBL5207282 0.87 MTNR1A (0.43) KCNH2
SCHEMBL5214162 0.87 MTNR1A (0.43) KCNH2
SCHEMBL7728107 0.86 KCNH2 (0.51) KCNH2
SCHEMBL6977097 0.86 MTNR1A (0.42) KCNH2
SCHEMBL6705647 0.85 KCNH2 (0.59) KCNH2
SCHEMBL5763561 0.85 KCNH2 (0.43) KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed