SCHEMBL14397252

SCHEMBL14397252

CC(=O)N1CCC(CNC(=O)c2cc(C)n(Cc3cc(C#N)cc4cc(C(C)C)oc34)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 15/20 0.54
PTGER3 P43115 1/20 0.48
USP30 Q70CQ3 1/20 0.46
CETP P11597 4/20 0.38

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
SCHEMBL13873948 0.94 PTGER1 (0.54) PTGER1PTGER3USP30CETP
SCHEMBL4162516 0.90 PTGER1 (0.50) PTGER1PTGER3USP30CETP
SCHEMBL4174064 0.90 PTGER1 (0.64) PTGER1PTGER3USP30
Hydrochloric Acid SCHEMBL4164351 0.89 PTGER1 (0.64) PTGER1PTGER3USP30
SCHEMBL4152728 0.80 PTGER1 (0.77) PTGER1PTGER3
SCHEMBL4160611 0.80 PTGER1 (0.73) PTGER1PTGER3
SCHEMBL4167748 0.79 PTGER1 (0.60) PTGER1PTGER3
SCHEMBL13873939 0.79 PTGER1 (0.69) PTGER1PTGER3
SCHEMBL4164358 0.79 PTGER1 (0.81) PTGER1PTGER3
SCHEMBL4162347 0.78 PTGER1 (0.57) PTGER1PTGER3

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
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed