SCHEMBL9104515

SCHEMBL9104515

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XIAP P98170 2/20 0.45
AGTR1 P30556 2/20 0.45
GHSR Q92847 1/20 0.45
PTGER1 P34995 11/20 0.43
PTGER3 P43115 11/20 0.43
PTGER2 P43116 7/20 0.43
PTGER4 P35408 10/20 0.43
TBXA2R P21731 4/20 0.43
PTGFR P43088 4/20 0.43
PTGIR P43119 4/20 0.43
PTGDR Q13258 4/20 0.43
FPR2 P25090 1/20 0.41
F10 P00742 1/20 0.41
AGTR2 P50052 1/20 0.40

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
SCHEMBL9106037 0.94 AGTR1 (0.44) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9108223 0.92 AGTR1 (0.45) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9107024 0.92 GHSR (0.53) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9103755 0.92 AGTR1 (0.45) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9107737 0.91 XIAP (0.46) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9109495 0.91 AGTR1 (0.44) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9107008 0.91 XIAP (0.45) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9105600 0.90 GHSR (0.47) XIAPAGTR1GHSRF10
SCHEMBL9105184 0.89 GHSR (0.56) XIAPAGTR1GHSRPTGER1PTGER3
SCHEMBL9221650 0.89 AGTR2 (0.40) XIAPAGTR1PTGER1PTGER3PTGER2

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