SCHEMBL9106412

SCHEMBL9106412

CSc1ccc2c(c1)CC[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C(=O)N2Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.44
AGTR1 P30556 1/20 0.44
PTGER1 P34995 8/20 0.39
PTGER3 P43115 8/20 0.39
PTGER4 P35408 6/20 0.39
XIAP P98170 4/20 0.39
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
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
NPY1R P25929 1/20 0.36

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
SCHEMBL9105029 0.94 GHSR (0.45) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9103745 0.93 GHSR (0.44) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9103376 0.92 GHSR (0.47) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9104946 0.92 AGTR1 (0.44) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9106377 0.91 GHSR (0.45) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9107445 0.91 GHSR (0.53) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9109511 0.91 GHSR (0.45) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9103754 0.90 GHSR (0.44) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9102845 0.88 GHSR (0.56) GHSRAGTR1PTGER1PTGER3PTGER4
SCHEMBL9102820 0.88 GHSR (0.44) GHSRAGTR1PTGER1PTGER3PTGER4

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