SCHEMBL8990897

SCHEMBL8990897

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H](NC(=O)CC(C)(C)N)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.47
TACR1 P25103 2/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 2/20 0.38
HDAC1 Q13547 1/20 0.37
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL8990803 0.91 GHSR (0.41) GHSRAGTR1TACR1MMEACE
SCHEMBL8991003 0.91 GHSR (0.51) GHSRAGTR1TACR1MMEACE
SCHEMBL8991082 0.90 GHSR (0.41) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990729 0.87 GHSR (0.57) GHSRAGTR1TACR1MMEACE
SCHEMBL8991127 0.87 MME (0.36) GHSRAGTR1TACR1MMEACE
SCHEMBL8991035 0.86 MME (0.36) GHSRAGTR1TACR1MMEACE
SCHEMBL8990849 0.86 GHSR (0.42) GHSRAGTR1HDAC1
SCHEMBL8990913 0.83 GHSR (0.45) GHSRAGTR1TACR1OPRM1HDAC1
SCHEMBL8990820 0.83 HDAC1 (0.43) GHSRAGTR1OPRM1OPRD1HDAC1
SCHEMBL8990811 0.83 HDAC1 (0.43) GHSRAGTR1OPRM1OPRD1HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US disclosed