SCHEMBL7724692

SCHEMBL7724692

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4cccnc4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.47
KCNH2 Q12809 8/20 0.46
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 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
SCHEMBL7731157 0.98 KCNH2 (0.46) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7724749 0.94 CCR8 (0.46) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7724746 0.94 CCR8 (0.46) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725846 0.93 CCR8 (0.53) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7730391 0.93 CCR8 (0.44) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7727043 0.92 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725577 0.91 KCNH2 (0.45) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7725575 0.91 KCNH2 (0.45) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL7723746 0.91 KCNH2 (0.50) CCR8KCNH2
SCHEMBL7724509 0.91 CCR8 (0.51) CCR8KCNH2MTNR1AMTNR1B

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