SCHEMBL8991154

SCHEMBL8991154

CCNC(=O)c1ccccc1-c1ccc(CN2Cc3ccc(OC)cc3S[C@@H](NC(=O)CC(C)CNC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
AGTR1 P30556 5/20 0.32
AGTR2 P50052 3/20 0.32
PPARG P37231 4/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
PRMT5 O14744 1/20 0.31
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL8990789 0.91 CCR3 (0.33) AGTR1AGTR2PRMT5
SCHEMBL8990786 0.91 PRMT5 (0.34) PPARGMEN1KMT2APRMT5PDCD1
SCHEMBL8990995 0.90
SCHEMBL8991043 0.88 AGTR1 (0.34) TAS1R3TAS1R1AGTR1AGTR2PPARG
SCHEMBL8990989 0.86 CCR3 (0.33) AGTR1AGTR2
SCHEMBL8990778 0.85 SIGMAR1 (0.32)
SCHEMBL8990863 0.84 GHSR (0.40) TAS1R3TAS1R1AGTR1AGTR2PPARG
SCHEMBL8990869 0.84 GHSR (0.40) TAS1R3TAS1R1AGTR1AGTR2PPARG
SCHEMBL8991074 0.82 AGTR1 (0.35) TAS1R3TAS1R1AGTR1AGTR2PPARG
SCHEMBL8990942 0.81 PRMT5 (0.38) PRMT5

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