SCHEMBL7725577

SCHEMBL7725577

COc1ccc2nccc(CCCC3CCN(CCCCc4cccnc4)CC3CCC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.45
CCR8 P51685 1/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
TBXAS1 P24557 1/20 0.40
PTAFR P25105 1/20 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
SCHEMBL7725575 1.00 KCNH2 (0.45) KCNH2CCR8MTNR1AMTNR1BTBXAS1
SCHEMBL7724746 0.98 CCR8 (0.46) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7724749 0.98 CCR8 (0.46) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7731157 0.94 KCNH2 (0.46) KCNH2CCR8MTNR1AMTNR1BTBXAS1
SCHEMBL7725339 0.94 CCR8 (0.50) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7725336 0.94 CCR8 (0.50) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726295 0.93 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726301 0.93 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726078 0.92 CCR8 (0.46) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726081 0.92 CCR8 (0.46) KCNH2CCR8MTNR1AMTNR1B

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