SCHEMBL9106313

SCHEMBL9106313

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1=O

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.56
AGTR1 P30556 1/20 0.56
XIAP P98170 9/20 0.51
PTGER1 P34995 5/20 0.45
PTGER3 P43115 5/20 0.45
PTGER2 P43116 3/20 0.45
PTGER4 P35408 4/20 0.44
TBXA2R P21731 2/20 0.44
PTGFR P43088 2/20 0.44
PTGIR P43119 2/20 0.44
PTGDR Q13258 2/20 0.44

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
SCHEMBL9106130 0.94 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105265 0.92 GHSR (0.48) GHSRAGTR1XIAP
SCHEMBL9108348 0.91 GHSR (0.53) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105600 0.91 GHSR (0.47) GHSRAGTR1XIAP
SCHEMBL9101307 0.91 GHSR (0.53) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9103788 0.91 GHSR (0.53) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105885 0.91 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107619 0.91 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9405641 0.89 GHSR (0.57) GHSRAGTR1XIAP
SCHEMBL9025207 0.89 GHSR (0.58) GHSRAGTR1XIAP

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