SCHEMBL8990816

SCHEMBL8990816

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.68
TACR1 P25103 2/20 0.40
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
AGTR1 P30556 1/20 0.36
MCHR1 Q99705 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER3 P43115 1/20 0.36
XIAP P98170 1/20 0.35

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
SCHEMBL8991128 0.93 GHSR (0.68) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8990939 0.92 GHSR (0.68) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8991054 0.92 GHSR (0.56) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8991034 0.92 GHSR (0.60) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8990729 0.91 GHSR (0.57) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8990704 0.90 GHSR (0.58) GHSRTACR1MCHR1XIAP
SCHEMBL8990927 0.90 GHSR (0.58) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8991005 0.90 GHSR (0.55) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8990879 0.89 GHSR (0.52) GHSRTACR1FNTAFNTBOPRM1
SCHEMBL8990790 0.89 GHSR (0.54) GHSRTACR1FNTAFNTBOPRM1

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