SCHEMBL8618501

SCHEMBL8618501

CC(C)(C)OC(=O)N1CCC(CCOc2cc(C(=O)O)on2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
SCN9A Q15858 1/20 0.46
GPR119 Q8TDV5 13/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
CHEK2 O96017 1/20 0.44
CSF1R P07333 1/20 0.44
KDR P35968 1/20 0.44
USP30 Q70CQ3 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
SCHEMBL7446229 0.95 GPR119 (0.53) FAAHSCN9AGPR119KDM4EPKM
SCHEMBL8617529 0.94 GPR119 (0.53) FAAHSCN9AGPR119KDM4EPKM
SCHEMBL7372143 0.90 FAAH (0.46) FAAHGPR119KDM4EPKMCHEK2
SCHEMBL7447685 0.90 SCN9A (0.47) FAAHSCN9AGPR119KDM4EPKM
SCHEMBL7450118 0.85 GPR119 (0.51) FAAHSCN9AGPR119
SCHEMBL7450033 0.84 GPR119 (0.52) FAAHSCN9AGPR119
SCHEMBL1855074 0.82 GPR119 (0.49) GPR119USP30
SCHEMBL7368481 0.80 FAAH (0.45) FAAHGPR119KDM4EPKMCHEK2
SCHEMBL21456251 0.79 SCN9A (0.46) FAAHSCN9AGPR119KDM4EPKM
SCHEMBL7405208 0.77 GPR119 (0.52) FAAHSCN9AGPR119KDM4EPKM

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
US-5786373-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-07-28 US disclosed