SCHEMBL6534296

SCHEMBL6534296

CCOC(=O)CC(=O)C1CCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.49
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
EPHX2 P34913 1/20 0.44
FAAH O00519 2/20 0.41
GAA P10253 1/20 0.41
P2RX7 Q99572 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NOTUM Q6P988 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28512457 0.90 GAA (0.45) MTNR1AMTNR1BGAANOTUMLMNA
SCHEMBL3195898 0.87 GHSR (0.49) GHSRMTNR1AMTNR1BEPHX2FAAH
SCHEMBL30437453 0.82 KDM4E (0.50) GHSRMTNR1AMTNR1BFAAHALDH1A1
SCHEMBL3630406 0.82 KDM4E (0.50) GHSRMTNR1AMTNR1BFAAHALDH1A1
SCHEMBL11790481 0.81 MTNR1A (0.54) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL6534265 0.79 GHSR (0.49) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL9725906 0.77 MTNR1A (0.57) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL7909766 0.76 GHSR (0.47) GHSRMTNR1AMTNR1BEPHX2FAAH
Hydrochloric Acid SCHEMBL9725905 0.76 MTNR1A (0.56) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL4432302 0.74 MTNR1A (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
US-6440995-B1 NMDA-RECEPTOR SUBTYPE SELECTIVE BLOCKERS HOFFMAN-LA ROCHE INC. 2002-08-27 US disclosed
EP-1088818-A1 Quinolin-4-yl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-04-04 EP disclosed