SCHEMBL8990790

SCHEMBL8990790

CNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.54
TACR1 P25103 2/20 0.37
NAMPT P43490 2/20 0.37
MCHR1 Q99705 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
SCN9A Q15858 1/20 0.34
PTGER1 P34995 1/20 0.33
PTGER3 P43115 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL8990816 0.89 GHSR (0.68) GHSRTACR1MCHR1HRH4FNTA
SCHEMBL8990729 0.83 GHSR (0.57) GHSRTACR1MCHR1HRH4FNTA
SCHEMBL8991005 0.82 GHSR (0.55) GHSRTACR1NAMPTHRH4FNTA
SCHEMBL8991128 0.82 GHSR (0.68) GHSRTACR1HRH4FNTAFNTB
SCHEMBL8991119 0.81 GHSR (0.42) GHSRTACR1NAMPTHRH4FNTA
SCHEMBL8991113 0.81 GHSR (0.42) GHSRTACR1NAMPTHRH4FNTA
SCHEMBL8990704 0.81 GHSR (0.58) GHSRTACR1MCHR1SCN9AMEN1
SCHEMBL8990939 0.81 GHSR (0.68) GHSRTACR1HRH4FNTAFNTB
SCHEMBL8991034 0.81 GHSR (0.60) GHSRTACR1MCHR1FNTAFNTB
SCHEMBL8991054 0.81 GHSR (0.56) GHSRTACR1HRH4FNTAFNTB

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