SCHEMBL9104431

SCHEMBL9104431

CC(C)(N)C(=O)N[C@@H]1CCc2cc(F)ccc2N(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.59
AGTR1 P30556 1/20 0.49
XIAP P98170 6/20 0.45
PTGER1 P34995 5/20 0.44
PTGER4 P35408 5/20 0.44
PTGER3 P43115 5/20 0.44
TBXA2R P21731 3/20 0.44
PTGFR P43088 3/20 0.44
PTGIR P43119 3/20 0.44
PTGDR Q13258 3/20 0.44
PTGER2 P43116 3/20 0.44
NPY1R P25929 3/20 0.42

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
SCHEMBL9109043 0.92 GHSR (0.57) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9105224 0.92 GHSR (0.59) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9104566 0.91 GHSR (0.59) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9102770 0.91 GHSR (0.57) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9106383 0.90 GHSR (0.70) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9107169 0.90 GHSR (0.58) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9105196 0.89 GHSR (0.57) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9104495 0.89 GHSR (0.54) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL7786660 0.87 GHSR (0.62) GHSRAGTR1XIAPNPY1R
SCHEMBL9223472 0.86 GHSR (0.46) GHSRAGTR1XIAPPTGER1PTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO claimed
US-5434261-A Benzo-fused lactams promote release of growth hormone MERCK & CO., INC. (US) 1995-07-18 US disclosed
WO-1995003289-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-02-02 WO disclosed