SCHEMBL8093281

SCHEMBL8093281

CC(C)(C)ON1CCC(Oc2cc(OCC(F)(F)F)c(C(=O)O)cc2F)CC1=C=O

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.32
RXRA P19793 1/20 0.32
HNF4A P41235 1/20 0.32
LIPG Q9Y5X9 4/20 0.32
LIPC P11150 3/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
LIPE Q05469 1/20 0.31
CNR2 P34972 2/20 0.31
ACACB O00763 1/20 0.31
GPR6 P46095 3/20 0.31
NTRK1 P04629 1/20 0.31
FFAR1 O14842 1/20 0.31
HTR2A P28223 1/20 0.31
SCN9A Q15858 1/20 0.31
PREP P48147 1/20 0.30
SLC6A9 P48067 1/20 0.30
KCNH2 Q12809 1/20 0.30
LPL P06858 1/20 0.30

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
SCHEMBL8088605 0.85 AR (0.32) GPR119GPR6SLC6A9KCNH2
SCHEMBL8081429 0.80 GPR119 (0.51) GPR119ALDH1A1LIPESCN9A
SCHEMBL7333661 0.79 OXTR (0.42) GPR119RXRAALDH1A1POLBLIPE
SCHEMBL8094956 0.78 LIPG (0.38) GPR119LIPGLIPCKCNH2LPL
SCHEMBL7333820 0.76 OXTR (0.41) ALDH1A1POLBLIPECNR2ACACB
SCHEMBL3563776 0.76 GRIK1 (0.43) ALDH1A1GPR6HTR2A
SCHEMBL3901739 0.75 GPR6 (0.36) LIPGLIPCALDH1A1GPR6
SCHEMBL3557510 0.73 GPR6 (0.35) GPR119GPR6
SCHEMBL8089498 0.72 GPR119 (0.51) GPR119LIPESCN9APREP
SCHEMBL8088578 0.70 EPHX2 (0.40) 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-6090805-A Tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 2000-07-18 US disclosed