SCHEMBL8089440

SCHEMBL8089440

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)c(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.61
EPHX2 P34913 1/20 0.50
ALK Q9UM73 1/20 0.49
AR P10275 9/20 0.48
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL30272627 0.92 GPR119 (0.61) GPR119EPHX2ALKHRH3
SCHEMBL22462765 0.92 GPR119 (0.61) GPR119EPHX2ALKHRH3
SCHEMBL14087517 0.88 GPR119 (0.67) GPR119ALKHRH3
SCHEMBL951252 0.86 GPR119 (0.65) GPR119ALKARHRH3
SCHEMBL25930392 0.86 GPR119 (0.53) GPR119ALKAR
SCHEMBL3283465 0.85 GPR119 (0.64) GPR119ALKARHRH3
SCHEMBL8088611 0.85 EPHX2 (0.57) GPR119EPHX2ALKHRH3
SCHEMBL31071566 0.85 GPR119 (0.58) GPR119EPHX2HRH3
SCHEMBL8088637 0.84 GPR119 (0.57) GPR119EPHX2HRH3
SCHEMBL15888739 0.83 GPR119 (0.61) GPR119ALKHRH3

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