SCHEMBL7413744

SCHEMBL7413744

CCCCC(=O)Oc1ccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.54
PDE4D Q08499 3/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
FAAH O00519 1/20 0.43
SCN9A Q15858 1/20 0.41
CHEK2 O96017 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
SCHEMBL7416686 0.81 GPR119 (0.46) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL7415294 0.81 GPR119 (0.53) GPR119PDE4DPDE4APDE4BPDE4C
SCHEMBL13335340 0.75 GPR119 (0.70) GPR119FAAHCHEK2
SCHEMBL1646632 0.74 GPR119 (0.59) GPR119SCN9ACHEK2
SCHEMBL7320461 0.73 GPR119 (0.68) GPR119FAAHCHEK2
SCHEMBL7413671 0.73 STS (0.50) GPR119FAAH
SCHEMBL7318758 0.73 GPR119 (0.74) GPR119FAAHCHEK2
SCHEMBL31575002 0.73 GPR119 (0.65) GPR119FAAH
SCHEMBL1574984 0.73 GPR119 (0.75) GPR119SCN9ACHEK2
SCHEMBL1669652 0.73 GPR119 (0.55) GPR119PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880136-A PREVENTING THROMBUS FORMATION MERCK & CO., INC. (US) 1999-03-09 US disclosed
US-5814643-A ANTICOAGULANTS MERCK & CO., INC. (US) 1998-09-29 US disclosed