SCHEMBL8990871

SCHEMBL8990871

COc1ccc2c(c1)C[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C(=O)N(Cc1ccc(-c3ccccc3CO)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
XIAP P98170 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK1 Q13464 2/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
TACR1 P25103 1/20 0.34
GHSR Q92847 2/20 0.33
AGTR1 P30556 1/20 0.33
MAPK1 P28482 2/20 0.33
ROCK2 O75116 1/20 0.33
NAMPT P43490 1/20 0.33
LMNA P02545 1/20 0.33
MLNR O43193 1/20 0.33

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
SCHEMBL8990798 0.91 GHSR (0.44) XIAPMEN1KMT2AKCNA5KCNH2
SCHEMBL8990741 0.91 GHSR (0.45) XIAPMEN1KMT2AKCNA5KCNH2
SCHEMBL8991087 0.91 TACR1 (0.39) TACR1GHSRAGTR1
SCHEMBL8991077 0.89 FPR1 (0.36) XIAPKMT2AROCK1GHSRAGTR1
SCHEMBL8991098 0.88 AGTR1 (0.36) XIAPMEN1KMT2AROCK1GHSR
SCHEMBL8991112 0.86 GHSR (0.37) MEN1KMT2AKCNA5KCNH2TACR1
SCHEMBL8990712 0.86 GHSR (0.43) MTNR1AMTNR1BXIAPMEN1KMT2A
SCHEMBL8990834 0.85 GHSR (0.44) MEN1KMT2AKCNA5KCNH2TACR1
SCHEMBL8990932 0.85 GHSR (0.43) MEN1KMT2AKCNA5KCNH2TACR1
SCHEMBL8990946 0.85 GHSR (0.40) XIAPKCNA5TACR1GHSRAGTR1

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-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