SCHEMBL7725353

SCHEMBL7725353

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4ccc(F)cc4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
CCR3 P51677 4/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL7720867 0.96 KCNH2 (0.47) KCNH2MTNR1AMTNR1B
SCHEMBL7729919 0.96 KCNH2 (0.45) KCNH2MTNR1AMTNR1B
SCHEMBL7721079 0.94 KCNH2 (0.43) KCNH2CCR3MTNR1AMTNR1B
SCHEMBL7721081 0.94 KCNH2 (0.43) KCNH2CCR3MTNR1AMTNR1B
SCHEMBL7728837 0.94 KCNH2 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL7728018 0.94 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7730091 0.93 KCNH2 (0.43) KCNH2MTNR1AMTNR1B
SCHEMBL7731415 0.93 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7728595 0.92 KCNH2 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL7724914 0.92 KCNH2 (0.44) 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