SCHEMBL7460734

SCHEMBL7460734

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
NCF1 P14598 1/20 0.44
KCNH2 Q12809 6/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ROCK2 O75116 1/20 0.41
DYRK3 O43781 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK4 Q9NR20 1/20 0.41
DYRK1B Q9Y463 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
SCHEMBL8128824 0.93 MTNR1A (0.46) MTNR1AMTNR1BNCF1KCNH2HTR1A
SCHEMBL6964736 0.93 MTNR1A (0.46) MTNR1AMTNR1BNCF1KCNH2HTR1A
SCHEMBL11335708 0.91 MTNR1A (0.48) MTNR1AMTNR1BNCF1KCNH2HTR1A
SCHEMBL11344192 0.91 MTNR1A (0.48) MTNR1AMTNR1BNCF1KCNH2HTR1A
SCHEMBL6966393 0.91 MTNR1A (0.48) MTNR1AMTNR1BNCF1KCNH2HTR1A
SCHEMBL5206940 0.89 MTNR1A (0.48) MTNR1AMTNR1BNCF1KCNH2ROCK2
SCHEMBL8128907 0.89 ROCK2 (0.45) MTNR1AMTNR1BNCF1KCNH2HTR1A
SCHEMBL5242818 0.89 MTNR1A (0.48) MTNR1AMTNR1BNCF1KCNH2ROCK2
SCHEMBL8125211 0.89 ROCK2 (0.45) MTNR1AMTNR1BNCF1KCNH2HTR1A
SCHEMBL8128908 0.89 ROCK2 (0.45) MTNR1AMTNR1BNCF1KCNH2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP disclosed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO disclosed