SCHEMBL9103831

SCHEMBL9103831

COc1ccc2c(c1)CC[C@@H](NC(=O)C(C)(C)N)C(=O)N2Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.53
PTGER1 P34995 10/20 0.50
PTGER3 P43115 10/20 0.50
PTGER4 P35408 9/20 0.50
PTGER2 P43116 7/20 0.50
TBXA2R P21731 4/20 0.50
PTGFR P43088 4/20 0.50
PTGIR P43119 4/20 0.50
PTGDR Q13258 4/20 0.50
XIAP P98170 1/20 0.47
AGTR2 P50052 3/20 0.47
AGTR1 P30556 2/20 0.47
FPR2 P25090 1/20 0.46

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
SCHEMBL9105184 0.93 GHSR (0.56) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9108136 0.92 GHSR (0.55) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9104495 0.91 GHSR (0.54) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9109383 0.91 GHSR (0.64) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9107049 0.90 GHSR (0.53) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9106205 0.90 GHSR (0.56) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9107704 0.90 GHSR (0.53) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9102817 0.89 GHSR (0.58) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9107169 0.89 GHSR (0.58) GHSRPTGER1PTGER3PTGER4PTGER2
SCHEMBL9216125 0.88 AGTR2 (0.46) GHSRPTGER1PTGER3PTGER4PTGER2

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