SCHEMBL8990879

SCHEMBL8990879

CC(C)(N)C(=O)N[C@@H]1Cc2ccccc2CN(Cc2ccc(-c3ccccc3CO)cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.52
TACR1 P25103 2/20 0.42
ACE P12821 3/20 0.40
MME P08473 1/20 0.40
AGTR1 P30556 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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 0.90 GHSR (0.56) GHSRTACR1ACEMMEAGTR1
SCHEMBL8990816 0.89 GHSR (0.68) GHSRTACR1ACEMMEAGTR1
SCHEMBL8991005 0.89 GHSR (0.55) GHSRTACR1ACEMMEAGTR1
SCHEMBL8991128 0.88 GHSR (0.68) GHSRTACR1ACEMMEAGTR1
SCHEMBL8990939 0.87 GHSR (0.68) GHSRTACR1ACEMMEAGTR1
SCHEMBL8991003 0.85 GHSR (0.51) GHSRTACR1ACEMMEAGTR1
SCHEMBL8990748 0.85 GHSR (0.50) GHSRTACR1ACEMMEAGTR1
SCHEMBL8990746 0.85 GHSR (0.50) GHSRTACR1ACEMMEAGTR1
SCHEMBL8990776 0.84 GHSR (0.47) GHSRAGTR1MEN1KMT2AHDAC1
SCHEMBL8990728 0.84 GHSR (0.42) GHSRTACR1ACEMMEAGTR1

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