SCHEMBL6604527

SCHEMBL6604527

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4ncccn4)C[C@@H]3CO)c2c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
CCR8 P51685 2/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 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
SCHEMBL6606207 0.96 KCNH2 (0.47) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL6607553 0.92 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL6603923 0.92 KCNH2 (0.45) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL6604185 0.91 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7727834 0.91 KCNH2 (0.46) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL6609981 0.91 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7727222 0.90 KCNH2 (0.46) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL7727219 0.90 KCNH2 (0.46) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL6605618 0.90 KCNH2 (0.43) KCNH2CCR8MTNR1AMTNR1B
SCHEMBL6606554 0.90 KCNH2 (0.41) KCNH2CCR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218370-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-12-08 EP disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed