SCHEMBL9105265

SCHEMBL9105265

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.48
AGTR1 P30556 1/20 0.48
XIAP P98170 11/20 0.43
NPY1R P25929 3/20 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
SCHEMBL9106599 0.94 GHSR (0.47) GHSRAGTR1XIAPNPY1R
SCHEMBL9105885 0.92 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL9104248 0.92 GHSR (0.46) GHSRAGTR1XIAPNPY1R
SCHEMBL9106313 0.92 GHSR (0.56) GHSRAGTR1XIAP
SCHEMBL9109390 0.92 GHSR (0.45) GHSRAGTR1XIAPNPY1R
SCHEMBL9105600 0.91 GHSR (0.47) GHSRAGTR1XIAPNPY1R
SCHEMBL9107619 0.91 GHSR (0.47) GHSRAGTR1XIAPNPY1R
SCHEMBL9108223 0.90 AGTR1 (0.45) GHSRAGTR1XIAP
SCHEMBL9105224 0.89 GHSR (0.59) GHSRAGTR1XIAPNPY1R
SCHEMBL8328942 0.88 GHSR (0.54) 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 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