SCHEMBL9108170

SCHEMBL9108170

CCNS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)C(C)(C)N)CCc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.70
AGTR1 P30556 1/20 0.55
PTGER1 P34995 13/20 0.55
PTGER3 P43115 13/20 0.55
PTGER4 P35408 10/20 0.55
PTGER2 P43116 7/20 0.55
TBXA2R P21731 4/20 0.55
PTGFR P43088 4/20 0.55
PTGIR P43119 4/20 0.55
PTGDR Q13258 4/20 0.55
XIAP P98170 2/20 0.52

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
SCHEMBL9102853 0.91 GHSR (0.67) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9105549 0.91 GHSR (0.68) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9104566 0.91 GHSR (0.59) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9102817 0.90 GHSR (0.58) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9106383 0.90 GHSR (0.70) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107736 0.90 GHSR (0.58) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9106153 0.90 GHSR (0.58) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9109383 0.88 GHSR (0.64) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9219058 0.85 GHSR (0.52) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9025347 0.84 GHSR (0.71) 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