SCHEMBL8991068

SCHEMBL8991068

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccc(OC)cc3C[C@@H](NC(=O)C(NC[C@@H](C)O)C(C)C)C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.36
ANPEP P15144 2/20 0.35
LNPEP Q9UIQ6 2/20 0.35
AGTR1 P30556 4/20 0.35
AGTR2 P50052 2/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 4/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 2/20 0.34
FAAH O00519 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL8990976 0.91 ANPEP (0.40) ANPEPLNPEPAGTR1HRH4HDAC1
SCHEMBL8990864 0.91 ANPEP (0.36) ANPEPLNPEPAGTR1HRH4SRC
SCHEMBL8990687 0.89 ANPEP (0.35) ANPEPLNPEPAGTR1HRH4SRC
SCHEMBL8991074 0.87 AGTR1 (0.35) XIAPAGTR1AGTR2PPARGTAS1R3
SCHEMBL8991043 0.83 AGTR1 (0.34) XIAPAGTR1AGTR2PPARGTAS1R3
SCHEMBL8991114 0.82 AGTR1 (0.41) AGTR1AGTR2PPARGTAS1R3TAS1R1
SCHEMBL8991117 0.82 AGTR1 (0.41) AGTR1AGTR2PPARGTAS1R3TAS1R1
SCHEMBL8990965 0.79 CCR3 (0.34) AGTR1AGTR2FAAHCNR1CNR2
SCHEMBL8990770 0.78 HDAC1 (0.31) AGTR1HDAC1
SCHEMBL8990867 0.77 CCR3 (0.34) AGTR1AGTR2PPARGFAAHCNR1

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