SCHEMBL8991005

SCHEMBL8991005

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.55
TACR1 P25103 2/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
NAMPT P43490 1/20 0.37
BDKRB1 P46663 1/20 0.37
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
AGTR1 P30556 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL8991054 0.92 GHSR (0.56) GHSRTACR1MMEACEHRH4
SCHEMBL8991136 0.91 GHSR (0.46) GHSRTACR1MMEACEHRH4
SCHEMBL8990816 0.90 GHSR (0.68) GHSRTACR1MMEACEHRH4
SCHEMBL8991128 0.89 GHSR (0.68) GHSRTACR1MMEACEHRH4
SCHEMBL8990879 0.89 GHSR (0.52) GHSRTACR1MMEACEHRH4
SCHEMBL8990939 0.89 GHSR (0.68) GHSRTACR1MMEACEHRH4
SCHEMBL8990886 0.85 GHSR (0.50) GHSRBDKRB1AGTR1MEN1KMT2A
SCHEMBL8990704 0.84 GHSR (0.58) GHSRTACR1MEN1KMT2A
SCHEMBL8990946 0.84 GHSR (0.40) GHSRTACR1MMEACEHRH4
SCHEMBL8990755 0.83 GHSR (0.40) GHSRTACR1MMEACEHRH4

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