SCHEMBL7720973

SCHEMBL7720973

COc1ccc2nccc(CCCC3CCN(CCSc4cccnc4)CC3CCC(=O)O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.47
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CCR8 P51685 1/20 0.39

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
SCHEMBL7720972 1.00 KCNH2 (0.47) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7726404 0.97 KCNH2 (0.44) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7726409 0.97 KCNH2 (0.44) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7723634 0.94 KCNH2 (0.47) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7727196 0.93 KCNH2 (0.46) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7727204 0.93 KCNH2 (0.46) KCNH2MTNR1AMTNR1BCCR8
SCHEMBL7726490 0.92 KCNH2 (0.48) KCNH2MTNR1AMTNR1B
SCHEMBL7726495 0.92 KCNH2 (0.48) KCNH2MTNR1AMTNR1B
SCHEMBL7727550 0.92 KCNH2 (0.49) KCNH2MTNR1AMTNR1B
SCHEMBL7727546 0.92 KCNH2 (0.49) KCNH2MTNR1AMTNR1B

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