SCHEMBL5206013

SCHEMBL5206013

COc1ccc2nccc(CCC[C@@H]3CCNC[C@@H]3C(=O)O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
LMNA P02545 1/20 0.43
KCNH2 Q12809 2/20 0.43
NCF1 P14598 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
Hydrochloric Acid SCHEMBL7726049 0.99 MTNR1A (0.48) MTNR1AMTNR1BLMNAKCNH2NCF1
Trifluoroacetic Acid SCHEMBL7726051 0.95 MTNR1A (0.45) MTNR1AMTNR1BKCNH2
Trifluoroacetic Acid SCHEMBL7728891 0.95 MTNR1A (0.45) MTNR1AMTNR1BKCNH2
SCHEMBL5206940 0.88 MTNR1A (0.48) MTNR1AMTNR1BLMNAKCNH2NCF1
SCHEMBL5242818 0.88 MTNR1A (0.48) MTNR1AMTNR1BLMNAKCNH2NCF1
SCHEMBL6607712 0.88 MTNR1A (0.48) MTNR1AMTNR1BLMNAKCNH2NCF1
SCHEMBL7460734 0.86 MTNR1A (0.47) MTNR1AMTNR1BKCNH2NCF1
SCHEMBL8128824 0.85 MTNR1A (0.46) MTNR1AMTNR1BKCNH2NCF1
SCHEMBL6964736 0.85 MTNR1A (0.46) MTNR1AMTNR1BKCNH2NCF1
SCHEMBL6966393 0.85 MTNR1A (0.48) MTNR1AMTNR1BKCNH2NCF1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484328-B1 Derivatives of quinolyl-propyl-piperidine and their use as antimicrobial agents AVENTIS PHARMA SA (FR) 2007-05-02 EP disclosed
EP-1484328-A1 Derivatives of quinolyl-propyl-piperidine and their use as antimicrobial agents Aventis Pharma S.A. (FR) 2004-12-08 EP disclosed
EP-1218370-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-12-08 EP disclosed
EP-1218370-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2002-07-03 EP disclosed
US-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed
WO-2001025227-A2 QUINOLYL PROPYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-12 WO disclosed