SCHEMBL8990760

SCHEMBL8990760

COc1ccc2c(c1)S[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C(=O)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.34
GHSR Q92847 1/20 0.34
ROCK1 Q13464 2/20 0.32
MAPK1 P28482 3/20 0.32
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
XIAP P98170 1/20 0.30

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
SCHEMBL8990917 0.94 AGTR1 (0.34) AGTR1GHSRROCK1
SCHEMBL8991062 0.90 AGTR1 (0.34) AGTR1GHSR
SCHEMBL8991098 0.88 AGTR1 (0.36) AGTR1GHSRROCK1MAPK1SDCBP
SCHEMBL8990903 0.86 AGTR1 (0.34) AGTR1GHSR
SCHEMBL8990937 0.85 AGTR1 (0.38) AGTR1GHSR
SCHEMBL8990943 0.85 FPR1 (0.34) GHSRROCK1MAPK1SDCBPSDC2
SCHEMBL8991050 0.84 GHSR (0.34) GHSRROCK1MAPK1SDCBPSDC2
SCHEMBL8990877 0.84 GHSR (0.42) GHSRMAPK1SDCBPSDC2XIAP
SCHEMBL8991060 0.84 GHSR (0.44) GHSRMAPK1SDCBPSDC2
SCHEMBL8991106 0.82 AGTR1 (0.36) AGTR1GHSRROCK1MAPK1XIAP

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
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO disclosed