SCHEMBL8991074

SCHEMBL8991074

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.35
AGTR2 P50052 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
PPARG P37231 3/20 0.33
XIAP P98170 1/20 0.33
POLB P06746 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
SCHEMBL8991043 0.95 AGTR1 (0.34) AGTR1AGTR2MEN1KMT2ATAS1R3
SCHEMBL8990980 0.91 PRMT5 (0.38)
SCHEMBL8990867 0.91 CCR3 (0.34) AGTR1AGTR2PPARG
SCHEMBL8990688 0.90 HDAC1 (0.31) AGTR1
SCHEMBL8991068 0.87 XIAP (0.36) AGTR1AGTR2MEN1KMT2ATAS1R3
SCHEMBL8990942 0.86 PRMT5 (0.38)
SCHEMBL8990954 0.86 CCR3 (0.33) AGTR1AGTR2PPARG
SCHEMBL8990819 0.85 PRMT5 (0.32)
SCHEMBL8991117 0.84 AGTR1 (0.41) AGTR1AGTR2MEN1KMT2ATAS1R3
SCHEMBL8991114 0.84 AGTR1 (0.41) AGTR1AGTR2MEN1KMT2ATAS1R3

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