SCHEMBL7731645

SCHEMBL7731645

COc1ccc2nccc(CCC[C@@H]3CCN(CCCc4ccccc4OC)C[C@@H]3CCC(=O)O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.44
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
KCNH2 Q12809 7/20 0.42

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
SCHEMBL7731649 1.00 CCR8 (0.44) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7721507 0.98 CCR8 (0.42) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7721511 0.98 CCR8 (0.42) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7727122 0.93 CCR8 (0.45) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7726299 0.93 CCR8 (0.44) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7721508 0.93 KCNH2 (0.47) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7726303 0.93 CCR8 (0.44) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7721512 0.93 KCNH2 (0.47) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7724893 0.92 CCR8 (0.52) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7724897 0.92 CCR8 (0.52) CCR8MTNR1AMTNR1BKCNH2

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