SCHEMBL9107024

SCHEMBL9107024

C[C@@H](O)CNC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3S(=O)(=O)NC(=O)c3ccccc3)cc2)C1=O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.53
AGTR1 P30556 1/20 0.53
PTGER1 P34995 14/20 0.52
PTGER3 P43115 13/20 0.52
PTGER2 P43116 6/20 0.52
PTGER4 P35408 9/20 0.51
TBXA2R P21731 3/20 0.51
PTGFR P43088 3/20 0.51
PTGIR P43119 3/20 0.51
PTGDR Q13258 3/20 0.51
XIAP P98170 1/20 0.49

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
SCHEMBL9105733 0.94 GHSR (0.52) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9108223 0.92 AGTR1 (0.45) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9104515 0.92 XIAP (0.45) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9103755 0.92 AGTR1 (0.45) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9109495 0.91 AGTR1 (0.44) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9108348 0.90 GHSR (0.53) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9101307 0.90 GHSR (0.53) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9106313 0.89 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9102872 0.88 GHSR (0.67) GHSRAGTR1PTGER1PTGER3PTGER2
SCHEMBL9221625 0.87 XIAP (0.43) AGTR1PTGER1PTGER3PTGER2PTGER4

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