SCHEMBL7727968

SCHEMBL7727968

COc1ccc2nccc(CCC[C@@H]3CCN(CCSc4cnccn4)C[C@@H]3C(=O)O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.56

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
SCHEMBL7720920 0.96 KCNH2 (0.52) KCNH2
SCHEMBL7726313 0.91 KCNH2 (0.46) KCNH2
SCHEMBL6604534 0.91 KCNH2 (0.59) KCNH2
SCHEMBL7725950 0.91 KCNH2 (0.46) KCNH2
SCHEMBL7725946 0.91 KCNH2 (0.46) KCNH2
Hydrochloric Acid SCHEMBL7725327 0.91 KCNH2 (0.58) KCNH2
SCHEMBL7727974 0.91 KCNH2 (0.56) KCNH2
SCHEMBL6609860 0.90 KCNH2 (0.44) KCNH2
SCHEMBL7731006 0.89 KCNH2 (0.57) KCNH2
SCHEMBL7732433 0.89 KCNH2 (0.56) 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