SCHEMBL6534265

SCHEMBL6534265

O=C(O)CC(=O)C1CCc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.49
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
FAAH O00519 3/20 0.47
P2RX7 Q99572 1/20 0.46
GRIN2B Q13224 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PLAU P00749 1/20 0.42
F2 P00734 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL11790481 0.85 MTNR1A (0.54) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL3195898 0.83 GHSR (0.49) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL8588823 0.81 MTNR1A (0.56) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL9526679 0.81 FAAH (0.48) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL5608206 0.80 FAAH (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL6427539 0.80 FAAH (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL367535 0.80 FAAH (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL6534296 0.79 GHSR (0.49) GHSRMTNR1AMTNR1BFAAHP2RX7
Hydrochloric Acid SCHEMBL9266537 0.79 ANPEP (0.53) GHSRMTNR1AMTNR1BFAAHP2RX7
SCHEMBL6534185 0.77 FAAH (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 1 patent. 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