SCHEMBL7415294

SCHEMBL7415294

CCCC(=O)Oc1cccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)c1N

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.53
FAAH O00519 1/20 0.46
HTR6 P50406 1/20 0.45
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
KDM1A O60341 1/20 0.42
TGFBR1 P36897 1/20 0.42
SGMS1 Q86VZ5 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
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
SCHEMBL7417427 0.84 TGFBR1 (0.52) GPR119HTR6TGFBR1
SCHEMBL7416856 0.84 GPR119 (0.49) GPR119FAAHHTR6TGFBR1SCN9A
SCHEMBL7416559 0.82 YAP1 (0.44) GPR119FAAHHTR6KDM4EPKM
SCHEMBL7417403 0.82 STS (0.51) GPR119HTR6KDM4EPKMTGFBR1
SCHEMBL7415441 0.81 GPR119 (0.47) GPR119HTR6TGFBR1SCN9A
SCHEMBL7413744 0.81 GPR119 (0.54) GPR119FAAHPDE4DPDE4APDE4B
SCHEMBL7413311 0.80 GPR119 (0.46) GPR119HTR6TGFBR1SCN9A
SCHEMBL7413661 0.78 GPR119 (0.57) GPR119FAAHHTR6KDM4EPKM
SCHEMBL30663176 0.78 GPR119 (0.57) GPR119FAAHHTR6KDM4EPKM
SCHEMBL26619651 0.78 GPR119 (0.57) GPR119FAAHHTR6KDM4EPKM

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