SCHEMBL7728419

SCHEMBL7728419

COc1ccc2nccc(CCC[C@@H]3CCN(CCC4CC4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
KCNH2 Q12809 5/20 0.44

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 0.97 MTNR1A (0.43) MTNR1AMTNR1BKCNH2
SCHEMBL7729229 0.97 MTNR1A (0.43) MTNR1AMTNR1BKCNH2
SCHEMBL7733606 0.96 CCR8 (0.43) MTNR1AMTNR1BKCNH2
SCHEMBL7721662 0.93 MTNR1A (0.46) MTNR1AMTNR1BKCNH2
SCHEMBL7721661 0.93 MTNR1A (0.46) MTNR1AMTNR1BKCNH2
SCHEMBL7728043 0.93 MTNR1A (0.45) MTNR1AMTNR1BKCNH2
SCHEMBL7725753 0.90 CCR8 (0.48) MTNR1AMTNR1BKCNH2
SCHEMBL7727376 0.90 KCNH2 (0.47) MTNR1AMTNR1BKCNH2
SCHEMBL7720777 0.90 CCR8 (0.45) MTNR1AMTNR1BKCNH2
SCHEMBL7725857 0.90 KCNH2 (0.53) 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