SCHEMBL9105224

SCHEMBL9105224

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.59
AGTR1 P30556 1/20 0.59
XIAP P98170 6/20 0.43
NPY1R P25929 3/20 0.41
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
TBXA2R P21731 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
SCN9A Q15858 1/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL9106368 0.92 GHSR (0.57) GHSRAGTR1XIAPNPY1RPTGER1
SCHEMBL9104431 0.92 GHSR (0.59) GHSRAGTR1XIAPNPY1RPTGER1
SCHEMBL9107089 0.91 GHSR (0.57) GHSRAGTR1XIAPNPY1RPTGER1
SCHEMBL9107627 0.91 GHSR (0.58) GHSRAGTR1XIAPPTGER1PTGER4
SCHEMBL9104589 0.91 GHSR (0.71) GHSRAGTR1XIAPNPY1RPTGER1
SCHEMBL9107058 0.90 GHSR (0.59) GHSRAGTR1XIAPNPY1RSCN9A
SCHEMBL9104971 0.90 GHSR (0.58) GHSRAGTR1XIAPNPY1RPTGER1
SCHEMBL9104528 0.90 GHSR (0.57) GHSRAGTR1PTGER1PTGER4PTGER3
SCHEMBL9105265 0.89 GHSR (0.48) GHSRAGTR1XIAPNPY1R
SCHEMBL9106599 0.88 GHSR (0.47) GHSRAGTR1XIAPNPY1R

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 2 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