SCHEMBL8617529

SCHEMBL8617529

CC(C)(C)OC(=O)N1CCC(CCCCOc2cc(C(=O)O)on2)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.53
FAAH O00519 1/20 0.51
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
SCN9A Q15858 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 0.97 GPR119 (0.53) GPR119FAAHKDM4EPKMSCN9A
SCHEMBL8618501 0.94 FAAH (0.48) GPR119FAAHKDM4EPKMSCN9A
SCHEMBL7450033 0.90 GPR119 (0.52) GPR119FAAHSCN9A
SCHEMBL7372143 0.89 FAAH (0.46) GPR119FAAHKDM4EPKM
SCHEMBL7450118 0.87 GPR119 (0.51) GPR119FAAHSCN9A
SCHEMBL7447685 0.84 SCN9A (0.47) GPR119FAAHKDM4EPKMSCN9A
SCHEMBL1855074 0.81 GPR119 (0.49) GPR119
SCHEMBL7368481 0.78 FAAH (0.45) GPR119FAAHKDM4EPKM
SCHEMBL10296175 0.75 GPR119 (0.56) GPR119FAAHKDM4EPKM
SCHEMBL28775143 0.74 ALOX5AP (0.43) GPR119

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