SCHEMBL7721273

SCHEMBL7721273

COc1ccc2nccc(CCCC3CCN(CCCSc4ccsc4)CC3CCC(=O)O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.45
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
CCR8 P51685 1/20 0.37

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
SCHEMBL7721272 1.00 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7727641 0.97 KCNH2 (0.48) KCNH2MTNR1AMTNR1B
SCHEMBL7727648 0.97 KCNH2 (0.48) KCNH2MTNR1AMTNR1B
SCHEMBL7721340 0.94 KCNH2 (0.46) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7732972 0.92 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7732975 0.92 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7720535 0.91 KCNH2 (0.54) KCNH2
SCHEMBL6609758 0.91 KCNH2 (0.43) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7725376 0.90 KCNH2 (0.49) KCNH2MTNR1AMTNR1B
SCHEMBL7730358 0.90 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8

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