SCHEMBL7723736

SCHEMBL7723736

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4cccnc4)C[C@@H]3CC(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
CCR8 P51685 1/20 0.40
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38

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
SCHEMBL7723634 0.97 KCNH2 (0.47) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726409 0.94 KCNH2 (0.44) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7726404 0.94 KCNH2 (0.44) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7728018 0.94 KCNH2 (0.46) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7720970 0.93 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7730245 0.92 KCNH2 (0.45) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7720499 0.92 KCNH2 (0.53) KCNH2
SCHEMBL6606432 0.92 KCNH2 (0.41) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7731415 0.92 KCNH2 (0.46) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7729919 0.92 KCNH2 (0.45) 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