SCHEMBL8990976

SCHEMBL8990976

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H](NC(=O)C(NC[C@@H](C)O)C(C)C)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.40
LNPEP Q9UIQ6 3/20 0.40
MME P08473 2/20 0.40
ACE P12821 1/20 0.40
AGTR1 P30556 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
PRMT5 O14744 1/20 0.39
OPRM1 P35372 4/20 0.37
OPRD1 P41143 2/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL8990864 0.92 ANPEP (0.36) ANPEPLNPEPMMEACEAGTR1
SCHEMBL8990687 0.91 ANPEP (0.35) ANPEPLNPEPMMEACEAGTR1
SCHEMBL8991068 0.91 XIAP (0.36) ANPEPLNPEPAGTR1HRH4HDAC1
SCHEMBL8990980 0.85 PRMT5 (0.38) ANPEPLNPEPMMEACEHRH4
SCHEMBL8990748 0.82 GHSR (0.50) MMEACEAGTR1HRH4PRMT5
SCHEMBL8990746 0.82 GHSR (0.50) MMEACEAGTR1HRH4PRMT5
SCHEMBL8990965 0.81 CCR3 (0.34) MMEAGTR1HDAC1HDAC7
SCHEMBL8990942 0.81 PRMT5 (0.38) ANPEPLNPEPMMEACEHRH4
SCHEMBL8990770 0.80 HDAC1 (0.31) MMEAGTR1HDAC1HDAC7
SCHEMBL8990818 0.80 GHSR (0.47) MMEACEAGTR1HRH4OPRM1

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 4 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
WO-1995009633-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1995-04-13 WO 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