SCHEMBL7733606

SCHEMBL7733606

COc1ccc2nccc(CCC[C@@H]3CCN(CCC4CCCCC4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
KCNH2 Q12809 5/20 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
SCHEMBL7728088 0.99 MTNR1A (0.43) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7729229 0.98 MTNR1A (0.43) MTNR1AMTNR1BKCNH2
SCHEMBL7728419 0.96 MTNR1A (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL7726203 0.93 MTNR1A (0.44) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7726200 0.93 MTNR1A (0.44) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7721865 0.93 CCR8 (0.49) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7728208 0.92 MTNR1A (0.45) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7728207 0.92 MTNR1A (0.45) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7732120 0.92 CCR8 (0.48) CCR8MTNR1AMTNR1BKCNH2
SCHEMBL7725747 0.91 MTNR1A (0.45) MTNR1AMTNR1BKCNH2

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