SCHEMBL6973699

SCHEMBL6973699

C/C=C1\CN(CCCCCCC)CC[C@H]1CCCc1ccnc2ccc(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.48
KCNH2 Q12809 9/20 0.44
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
SLC2A1 P11166 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MCHR1 Q99705 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
SCHEMBL6973703 1.00 CCR8 (0.48) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6972322 0.88 DRD3 (0.37) CCR8KCNH2
SCHEMBL6972325 0.88 DRD3 (0.37) CCR8KCNH2
SCHEMBL6975728 0.84 CCR8 (0.56) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6978175 0.82 HTR1A (0.38) SIGMAR1
SCHEMBL6626735 0.81 CCR8 (0.54) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL6971729 0.80 CCR8 (0.52) CCR8KCNH2MTNR1AMTNR1BSLC2A1
SCHEMBL6974931 0.79 CCR8 (0.49) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL6968167 0.79 CCR8 (0.49) CCR8KCNH2MTNR1AMTNR1B
SCHEMBL6868975 0.79 CCR8 (0.51) CCR8KCNH2MTNR1AMTNR1BSLC2A1

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 4 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-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