SCHEMBL8990923

SCHEMBL8990923

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)CC(C)(C)NC[C@H](O)CO)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.33
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
XIAP P98170 1/20 0.30
PTGER1 P34995 1/20 0.30

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
SCHEMBL8990751 0.94 GHSR (0.47) GHSRAGTR1
SCHEMBL8990759 0.94 GHSR (0.48) GHSRAGTR1PTGER1
SCHEMBL8990948 0.94 GHSR (0.47) GHSRAGTR1XIAPPTGER1
SCHEMBL8990997 0.93 GHSR (0.40) GHSRAGTR1ADRB2ADRB1ADRB3
SCHEMBL8991083 0.92 GHSR (0.43) GHSRADRB2ADRB1ADRB3
SCHEMBL8990750 0.92 GHSR (0.39) GHSRAGTR1
SCHEMBL8990833 0.89 GHSR (0.35) GHSRAGTR1PTGER1
SCHEMBL8990991 0.88 GHSR (0.54) GHSRAGTR1XIAPPTGER1
SCHEMBL8990855 0.88 GHSR (0.48) GHSRAGTR1XIAPPTGER1
SCHEMBL8990933 0.88 GHSR (0.49) GHSRAGTR1XIAPPTGER1

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