SCHEMBL7728225

SCHEMBL7728225

COc1ccc2nccc(CCCC3CCN(CCCc4ccc(F)cc4)CC3CCC(=O)O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.46
CCR8 P51685 1/20 0.46
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
SLC2A1 P11166 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
SCHEMBL7728219 1.00 KCNH2 (0.46) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL7727766 0.98 KCNH2 (0.46) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL7727769 0.98 KCNH2 (0.46) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL7721496 0.95 CCR8 (0.48) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL7721494 0.95 CCR8 (0.48) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL7732517 0.93 CCR8 (0.46) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL7726990 0.93 KCNH2 (0.47) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL7732520 0.93 CCR8 (0.46) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL7725945 0.93 CCR8 (0.46) KCNH2CCR8MTNR1AMTNR1BSLC2A1
SCHEMBL7724893 0.93 CCR8 (0.52) KCNH2CCR8MTNR1AMTNR1BSLC2A1

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