SCHEMBL8990854

SCHEMBL8990854

CC(C)(N)CC(=O)N[C@@H]1Cc2ccccc2CN(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.52
AGTR1 P30556 1/20 0.52
TACR1 P25103 2/20 0.37
OPRM1 P35372 3/20 0.35
OPRD1 P41143 2/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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
SCHEMBL8990986 0.92 AGTR1 (0.47) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990728 0.91 GHSR (0.42) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991075 0.91 GHSR (0.46) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8991073 0.91 AGTR1 (0.46) GHSRAGTR1TACR1
SCHEMBL9024343 0.88 GHSR (0.65) GHSRAGTR1
SCHEMBL8990984 0.88 AGTR1 (0.41) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990977 0.87 AGTR1 (0.40) GHSRAGTR1TACR1OPRM1OPRD1
SCHEMBL8990860 0.86 GHSR (0.48) GHSRAGTR1
SCHEMBL9694552 0.86 GHSR (0.48) GHSRAGTR1
SCHEMBL8991039 0.85 AGTR1 (0.41) GHSRAGTR1TACR1OPRM1OPRD1

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