SCHEMBL7413655

SCHEMBL7413655

CC(C)(C)OC(=O)N1CCC(CCCCOc2ccccc2CCO)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.57
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
FAAH O00519 1/20 0.47
HTR6 P50406 1/20 0.45
TGFBR1 P36897 1/20 0.44
SCN9A Q15858 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL7416311 0.87 GPR119 (0.56) GPR119KDM4EPKMFAAHHTR6
SCHEMBL4151572 0.83 TGFBR1 (0.53) GPR119KDM4EPKMFAAHTGFBR1
SCHEMBL7280689 0.82 GPR119 (0.51) GPR119KDM4EPKMFAAHHTR6
SCHEMBL7413661 0.81 GPR119 (0.57) GPR119KDM4EPKMFAAHHTR6
SCHEMBL7279210 0.80 GPR119 (0.49) GPR119KDM4EPKMFAAHHTR6
SCHEMBL4152000 0.80 KDM4E (0.49) GPR119KDM4EPKMFAAHTGFBR1
SCHEMBL8696526 0.80 GPR119 (0.58) GPR119KDM4EPKMFAAHHTR6
SCHEMBL5778797 0.79 KDM4E (0.48) GPR119KDM4EPKMFAAHTGFBR1
SCHEMBL4151836 0.79 PDE4D (0.50) GPR119KDM4EPKMFAAHTGFBR1
SCHEMBL30663176 0.79 GPR119 (0.57) GPR119KDM4EPKMFAAHHTR6

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