SCHEMBL6584064

SCHEMBL6584064

NNC(=O)C1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.53
GHSR Q92847 1/20 0.53
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
FAAH O00519 2/20 0.48
PLAU P00749 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ANPEP P15144 1/20 0.45
F2 P00734 1/20 0.44
NPY5R Q15761 2/20 0.44

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
SCHEMBL6584070 1.00 P2RX7 (0.53) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL2548043 0.87 P2RX7 (0.47) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL30430294 0.87 P2RX7 (0.47) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL366547 0.84 P2RX7 (0.55) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL8569917 0.83 GHSR (0.57) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL7072069 0.81 P2RX7 (0.52) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL6941196 0.81 P2RX7 (0.49) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL346421 0.80 PLAU (0.52) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL30711622 0.80 PLAU (0.52) P2RX7GHSRMTNR1AMTNR1BFAAH
SCHEMBL6642213 0.80 GHSR (0.69) P2RX7GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204352-B1 INHIBITORS OF LYSINE GINGIPAIN CORTEXYME INC (US) 2020-07-01 EP disclosed
EP-1070708-B1 Triazole derivatives HOFFMANN LA ROCHE (CH) 2004-01-14 EP disclosed
WO-2002024192-A1 DIPEPTIDE LIGANDS OF THE NPFF RECEPTOR FOR TREATING PAIN AND HYPERALGESIA INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2002-03-28 WO disclosed
US-6265426-B1 CENTRAL NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2001-07-24 US disclosed
EP-1070708-A1 Triazole and imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-01-24 EP disclosed