SCHEMBL6487784

SCHEMBL6487784

CCCCCCCN1CCNC[C@H]1CC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 3/20 0.37
S1PR5 Q9H228 3/20 0.37
S1PR4 O95977 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GNAI3 P08754 2/20 0.35
GNAO1 P09471 2/20 0.35
GNAI1 P63096 2/20 0.35
GBA1 P04062 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7499655 0.88 GNAI3 (0.38) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL6527004 0.88 GNAI3 (0.38) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL2917564 0.79 POLB (0.39) ALDH1A1POLBKMT2A
SCHEMBL6484393 0.78 GBA1 (0.44) TAAR1GNAI3GNAO1GNAI1GBA1
SCHEMBL3106291 0.77 TAAR1 (0.44) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL28180032 0.77 TAAR1 (0.44) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL6487355 0.77 S1PR1 (0.35) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL9261256 0.76 GBA1 (0.43) TAAR1GNAI3GNAO1GNAI1GBA1
SCHEMBL6566400 0.76 TAAR1 (0.52) S1PR1S1PR3S1PR5S1PR4TAAR1
SCHEMBL6439309 0.76 TAAR1 (0.52) S1PR1S1PR3S1PR5S1PR4TAAR1

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
US-6911442-B1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-06-28 US disclosed
EP-1187828-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-04-21 EP disclosed
EP-1187828-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2000078748-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-28 WO disclosed