SCHEMBL8094956

SCHEMBL8094956

CC(C)(C)ON1CCC(Oc2ccc(C(=O)O)c(C(F)(F)F)c2)CC1=C=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 5/20 0.38
LIPC P11150 2/20 0.38
HRH3 Q9Y5N1 7/20 0.35
GPR119 Q8TDV5 3/20 0.35
LPL P06858 1/20 0.35
EPHX2 P34913 1/20 0.34
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
KCNH2 Q12809 2/20 0.34
NEK2 P51955 1/20 0.34
RBP4 P02753 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL8081388 0.87 EPHX2 (0.40) HRH3GPR119EPHX2HRH1CCR3
SCHEMBL8088578 0.86 EPHX2 (0.40) HRH3GPR119EPHX2
SCHEMBL8089444 0.84 AR (0.46)
SCHEMBL8092927 0.83 EPHX2 (0.37) HRH3EPHX2NEK2
SCHEMBL3563776 0.82 GRIK1 (0.43)
SCHEMBL8088615 0.82 EPHX2 (0.36) HRH3GPR119EPHX2
SCHEMBL3901739 0.79 GPR6 (0.36) LIPGLIPC
SCHEMBL7333661 0.78 OXTR (0.42) GPR119HRH1CCR3KCNH2
SCHEMBL7356525 0.78 HIF1A (0.34) HRH3GPR119
SCHEMBL8093281 0.78 GPR119 (0.32) LIPGLIPCGPR119LPLKCNH2

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