SCHEMBL7732051

SCHEMBL7732051

COc1ccc2nccc(CCCC3CCN(CCCSc4ccncn4)CC3CCC(=O)O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.43
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CCR8 P51685 1/20 0.38
CYP1A2 P05177 1/20 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
SCHEMBL7732047 1.00 KCNH2 (0.43) KCNH2MTNR1AMTNR1BCCR8CYP1A2
SCHEMBL7727484 0.96 KCNH2 (0.46) KCNH2MTNR1AMTNR1BCYP1A2
SCHEMBL7727492 0.96 KCNH2 (0.46) KCNH2MTNR1AMTNR1BCYP1A2
SCHEMBL7728191 0.94 KCNH2 (0.43) KCNH2MTNR1AMTNR1BCCR8CYP1A2
SCHEMBL7730358 0.92 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8CYP1A2
SCHEMBL7730355 0.92 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8CYP1A2
SCHEMBL7729181 0.91 KCNH2 (0.43) KCNH2MTNR1AMTNR1BCCR8CYP1A2
SCHEMBL7729185 0.91 KCNH2 (0.43) KCNH2MTNR1AMTNR1BCCR8CYP1A2
SCHEMBL7720622 0.91 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8CYP1A2
SCHEMBL7720621 0.91 KCNH2 (0.45) KCNH2MTNR1AMTNR1BCCR8CYP1A2

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