SCHEMBL9107058

SCHEMBL9107058

COc1ccc2c(c1)CC[C@@H](NC(=O)CC(C)(C)N)C(=O)N2Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.59
AGTR1 P30556 1/20 0.59
XIAP P98170 4/20 0.48
SCN9A Q15858 3/20 0.46
NPY1R P25929 1/20 0.42
FPR2 P25090 1/20 0.41
F10 P00742 2/20 0.41
PRSS1 P07477 1/20 0.41
RIPK1 Q13546 1/20 0.41
CCKBR P32239 1/20 0.41

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
SCHEMBL9102800 0.92 GHSR (0.57) GHSRAGTR1XIAPNPY1RFPR2
SCHEMBL9107169 0.92 GHSR (0.58) GHSRAGTR1XIAPSCN9ANPY1R
SCHEMBL9105003 0.92 GHSR (0.56) GHSRAGTR1XIAPNPY1RFPR2
SCHEMBL9105224 0.90 GHSR (0.59) GHSRAGTR1XIAPSCN9ANPY1R
SCHEMBL9104589 0.90 GHSR (0.71) GHSRAGTR1XIAPNPY1R
SCHEMBL9105184 0.90 GHSR (0.56) GHSRAGTR1XIAPFPR2F10
SCHEMBL9107627 0.89 GHSR (0.58) GHSRAGTR1XIAPSCN9AFPR2
SCHEMBL9104971 0.89 GHSR (0.58) GHSRAGTR1XIAPNPY1R
SCHEMBL9105600 0.89 GHSR (0.47) GHSRAGTR1XIAPSCN9ANPY1R
SCHEMBL9108088 0.88 GHSR (0.47) GHSRAGTR1XIAPSCN9ANPY1R

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