SCHEMBL7730626

SCHEMBL7730626

COc1ccc2nccc(CCC[C@@H]3CCN(CCCCc4ccc(Cl)cc4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.47
CCR8 P51685 2/20 0.44
SLC2A1 P11166 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL7725606 0.98 KCNH2 (0.48) KCNH2CCR8SLC2A1MTNR1AMTNR1B
SCHEMBL7721619 0.95 CCR8 (0.46) KCNH2CCR8SLC2A1MTNR1AMTNR1B
SCHEMBL7725604 0.93 KCNH2 (0.47) KCNH2CCR8SLC2A1MTNR1AMTNR1B
SCHEMBL7725601 0.93 KCNH2 (0.47) KCNH2CCR8SLC2A1MTNR1AMTNR1B
SCHEMBL7720833 0.93 KCNH2 (0.46) KCNH2CCR8SLC2A1MTNR1AMTNR1B
SCHEMBL7724509 0.93 CCR8 (0.51) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7725753 0.93 CCR8 (0.48) KCNH2CCR8SLC2A1MTNR1AMTNR1B
SCHEMBL7727278 0.93 KCNH2 (0.47) KCNH2CCR8SLC2A1MTNR1AMTNR1B
SCHEMBL7725562 0.93 CCR8 (0.45) KCNH2CCR8SLC2A1MTNR1AMTNR1B
SCHEMBL7726222 0.92 CCR8 (0.45) KCNH2CCR8

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