SCHEMBL6971959

SCHEMBL6971959

CCCCCCCN1CCC(C/C=C/c2ccnc3ccc(OC)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.55
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNH2 Q12809 4/20 0.41
SLC2A1 P11166 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MAOB P27338 1/20 0.40
MCHR1 Q99705 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
NCF1 P14598 1/20 0.39
KMT5A Q9NQR1 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
SCHEMBL6971963 1.00 CCR8 (0.55) CCR8KDM4EMAPK1NPSR1KCNH2
SCHEMBL6974309 0.82 CCR8 (0.57) CCR8KCNH2SLC2A1HTR1AADRA1D
SCHEMBL6973562 0.80 HTR4 (0.46) CCR8KDM4EKCNH2HTR1AADRA1D
SCHEMBL6975728 0.80 CCR8 (0.56) CCR8KCNH2SLC2A1MCHR1SIGMAR1
SCHEMBL11831926 0.80 KDM4E (0.58) KDM4EMAPK1NPSR1NCF1
SCHEMBL11831923 0.80 KDM4E (0.58) KDM4EMAPK1NPSR1NCF1
SCHEMBL11832111 0.79 KDM4E (0.53) KDM4EMAPK1NPSR1KCNH2HTR1A
SCHEMBL11832118 0.79 KDM4E (0.53) KDM4EMAPK1NPSR1KCNH2HTR1A
SCHEMBL6964635 0.79 SLC2A1 (0.55) CCR8KDM4EKCNH2SLC2A1
SCHEMBL6964639 0.79 SLC2A1 (0.55) CCR8KDM4EKCNH2SLC2A1

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-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP claimed
EP-1051413-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-11-15 EP claimed
WO-1999037635-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1999-07-29 WO claimed
EP-1051413-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-04 EP 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