SCHEMBL9103745

SCHEMBL9103745

CCNS(=O)(=O)c1ccccc1-c1ccc(CN2C(=O)[C@H](NC(=O)CC(C)(C)NC[C@H](O)CO)CCc3cc(SC)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.44
AGTR1 P30556 1/20 0.44
XIAP P98170 5/20 0.39
PTGER1 P34995 8/20 0.37
PTGER3 P43115 8/20 0.37
PTGER4 P35408 6/20 0.37
TBXA2R P21731 3/20 0.37
PTGFR P43088 3/20 0.37
PTGIR P43119 3/20 0.37
PTGDR Q13258 3/20 0.37
PTGER2 P43116 3/20 0.37

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
SCHEMBL9102820 0.94 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9106412 0.93 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9103376 0.92 GHSR (0.47) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107611 0.91 GHSR (0.45) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9107042 0.91 GHSR (0.52) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9104946 0.91 AGTR1 (0.44) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9103112 0.91 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9106243 0.90 GHSR (0.44) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9219494 0.88 GHSR (0.56) GHSRAGTR1XIAPPTGER1PTGER3
SCHEMBL9105029 0.88 GHSR (0.45) GHSRAGTR1XIAPPTGER1PTGER3

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
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