SCHEMBL8991128

SCHEMBL8991128

CCNC(=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
HRH4 Q9H3N8 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
ACE P12821 3/20 0.36
MME P08473 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
AGTR1 P30556 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER3 P43115 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL8990939 0.93 GHSR (0.68) GHSRTACR1HRH4OPRM1OPRD1
SCHEMBL8990816 0.93 GHSR (0.68) GHSRTACR1HRH4OPRM1OPRD1
SCHEMBL8991044 0.92 GHSR (0.60) GHSRTACR1OPRM1OPRD1FNTA
SCHEMBL8991111 0.91 GHSR (0.57) GHSRTACR1HRH4OPRM1OPRD1
SCHEMBL8991054 0.91 GHSR (0.56) GHSRTACR1HRH4OPRM1OPRD1
SCHEMBL8990764 0.90 GHSR (0.59) GHSRTACR1HRH4OPRM1OPRD1
SCHEMBL8991005 0.89 GHSR (0.55) GHSRTACR1HRH4OPRM1OPRD1
SCHEMBL8990879 0.88 GHSR (0.52) GHSRTACR1HRH4OPRM1OPRD1
SCHEMBL8990748 0.86 GHSR (0.50) GHSRTACR1HRH4OPRM1OPRD1
SCHEMBL8990746 0.86 GHSR (0.50) GHSRTACR1HRH4OPRM1OPRD1

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 claimed