SCHEMBL7721010

SCHEMBL7721010

COc1ccc2nccc(CCC[C@@H]3CCN(CCCCc4cccs4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.48
CCR8 P51685 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL7720447 0.98 KCNH2 (0.49) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7728908 0.94 KCNH2 (0.48) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7728905 0.94 KCNH2 (0.48) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726484 0.91 KCNH2 (0.48) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726479 0.91 KCNH2 (0.48) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7729000 0.91 KCNH2 (0.58) KCNH2
SCHEMBL7723728 0.90 KCNH2 (0.44) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726070 0.89 KCNH2 (0.44) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7723596 0.89 KCNH2 (0.59) KCNH2CCR8
SCHEMBL7724509 0.89 CCR8 (0.51) KCNH2CCR8MTNR1AMTNR1B

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