SCHEMBL8088539

SCHEMBL8088539

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.60
GPR119 Q8TDV5 6/20 0.54
NEK2 P51955 2/20 0.49
HRH3 Q9Y5N1 1/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CHEK2 O96017 1/20 0.44
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL8088551 0.92 EPHX2 (0.62) EPHX2GPR119NEK2HRH3PDE4A
SCHEMBL8081375 0.89 EPHX2 (0.59) EPHX2GPR119NEK2HRH3PDE4A
SCHEMBL8088611 0.87 EPHX2 (0.57) EPHX2GPR119NEK2HRH3PDE4A
SCHEMBL7335803 0.86 GPR119 (0.52) EPHX2GPR119NEK2HRH3PDE4A
SCHEMBL31071566 0.85 GPR119 (0.58) EPHX2GPR119HRH3CHEK2
SCHEMBL8088637 0.84 GPR119 (0.57) EPHX2GPR119NEK2HRH3CHEK2
SCHEMBL30272601 0.84 GPR119 (0.57) EPHX2GPR119NEK2HRH3PDE4A
SCHEMBL20570501 0.84 GPR119 (0.57) EPHX2GPR119NEK2HRH3PDE4A
SCHEMBL22265776 0.83 GPR119 (0.66) EPHX2GPR119NEK2HRH3PDE4A
SCHEMBL31071590 0.82 GPR119 (0.57) EPHX2GPR119NEK2HRH3CHEK2

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